N-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine

C14H30N2 — CID 106329245

IUPACN-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(C(C)(CC)CC)C1
InChIInChI=1S/C14H30N2/c1-5-9-15-11-13-8-10-16(12-13)14(4,6-2)7-3/h13,15H,5-12H2,1-4H3
InChIKeyDSBHPAYRNPQBBJ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds7

About N-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine

N-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 106329245) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID106329245
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(C(C)(CC)CC)C1
InChIInChI=1S/C14H30N2/c1-5-9-15-11-13-8-10-16(12-13)14(4,6-2)7-3/h13,15H,5-12H2,1-4H3
InChIKeyDSBHPAYRNPQBBJ-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
N-[[1-(4,4-dimethylpent-2-ynyl)piperidin-4-yl]methyl]propan-1-amine
CID 114190436
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 60855135
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
N-[(1-cyclobutylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62522605
2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512074
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106031594
2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496943
N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62513962
1-(3-methylpentan-3-yl)-N-propylpiperidin-3-amine
CID 106329682
N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513450

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine (CID 106329245) is N-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine is CCCNCC1CCN(C(C)(CC)CC)C1.
What is the InChIKey of N-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is DSBHPAYRNPQBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-9-15-11-13-8-10-16(12-13)14(4,6-2)7-3/h13,15H,5-12H2,1-4H3.
What are the key properties of N-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
N-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 106329245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).