N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine

C32H59N3 — CID 21425712

IUPACN-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine
SMILESCC1(C)C2CCC(C2)C1CCC(CCC1C2CCC(C2)C1(C)C)NCC1CCN(CCCN)CC1
InChIInChI=1S/C32H59N3/c1-31(2)26-8-6-24(20-26)29(31)12-10-28(11-13-30-25-7-9-27(21-25)32(30,3)4)34-22-23-14-18-35(19-15-23)17-5-16-33/h23-30,34H,5-22,33H2,1-4H3
InChIKeyZGDWRMZHJVCDAJ-UHFFFAOYSA-N
MW485.85 g/mol
LogP6.71
Rot. Bonds12

About N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine

N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine (PubChem CID 21425712) has the molecular formula C32H59N3 and a molecular weight of 485.85 g/mol. Its IUPAC name is N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine.

Molecular Properties

Compound NameN-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine
PubChem CID21425712
Molecular FormulaC32H59N3
Molecular Weight485.85 g/mol
Exact Mass485.47
IUPAC NameN-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine
SMILESCC1(C)C2CCC(C2)C1CCC(CCC1C2CCC(C2)C1(C)C)NCC1CCN(CCCN)CC1
InChIInChI=1S/C32H59N3/c1-31(2)26-8-6-24(20-26)29(31)12-10-28(11-13-30-25-7-9-27(21-25)32(30,3)4)34-22-23-14-18-35(19-15-23)17-5-16-33/h23-30,34H,5-22,33H2,1-4H3
InChIKeyZGDWRMZHJVCDAJ-UHFFFAOYSA-N
XLogP6.71
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.85
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine with MolForge

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Related Compounds

N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(2,4,6-trimethylphenyl)pentan-1-amine
CID 70621295
N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
CID 102736096
N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,7-bis(5-tert-butyl-2-methylphenyl)heptan-1-amine
CID 70621847
N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine
CID 115905500
N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 79358464
N-[(1-heptylpiperidin-4-yl)methyl]propan-2-amine
CID 62591501
3-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-amine
CID 134105477
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591322
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride
CID 119898914
N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 114095644
N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine
CID 103410145

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine?
The IUPAC name of N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine (CID 21425712) is N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine.
What is the SMILES notation for N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine?
The canonical SMILES for N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine is CC1(C)C2CCC(C2)C1CCC(CCC1C2CCC(C2)C1(C)C)NCC1CCN(CCCN)CC1.
What is the InChIKey of N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine?
The InChIKey is ZGDWRMZHJVCDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H59N3/c1-31(2)26-8-6-24(20-26)29(31)12-10-28(11-13-30-25-7-9-27(21-25)32(30,3)4)34-22-23-14-18-35(19-15-23)17-5-16-33/h23-30,34H,5-22,33H2,1-4H3.
What are the key properties of N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine?
N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine has a molecular weight of 485.85 g/mol, XLogP of 6.71, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine is sourced from PubChem (CID 21425712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).