N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine

C20H41N3 — CID 176629357

IUPACN-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine
SMILESCC(C)CN1CCC(N(C)CC2CCC(NC(C)C)CC2)CC1
InChIInChI=1S/C20H41N3/c1-16(2)14-23-12-10-20(11-13-23)22(5)15-18-6-8-19(9-7-18)21-17(3)4/h16-21H,6-15H2,1-5H3
InChIKeyARJPHSCCHZXZFJ-UHFFFAOYSA-N
MW323.57 g/mol
LogP3.60
Rot. Bonds7

About N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine

N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine (PubChem CID 176629357) has the molecular formula C20H41N3 and a molecular weight of 323.57 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine
PubChem CID176629357
Molecular FormulaC20H41N3
Molecular Weight323.57 g/mol
Exact Mass323.33
IUPAC NameN-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine
SMILESCC(C)CN1CCC(N(C)CC2CCC(NC(C)C)CC2)CC1
InChIInChI=1S/C20H41N3/c1-16(2)14-23-12-10-20(11-13-23)22(5)15-18-6-8-19(9-7-18)21-17(3)4/h16-21H,6-15H2,1-5H3
InChIKeyARJPHSCCHZXZFJ-UHFFFAOYSA-N
XLogP3.60
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine with MolForge

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Related Compounds

3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine
CID 166035375
N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 138728386
(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine
CID 164836687
methane;N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 162017171
1-(2-fluoropropyl)-N-propan-2-ylpiperidin-4-amine
CID 167648403
1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine
CID 103778386
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine
CID 171641475
1-[2-(dimethylamino)ethyl]-N-propan-2-ylpiperidin-4-amine
CID 129189230
N,1-dimethyl-N-[[4-(methylamino)cyclohexyl]methyl]piperidin-3-amine
CID 115213642
1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
CID 164928841
N-(cyclobutylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115713249

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine (CID 176629357) is N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine is CC(C)CN1CCC(N(C)CC2CCC(NC(C)C)CC2)CC1.
What is the InChIKey of N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine?
The InChIKey is ARJPHSCCHZXZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3/c1-16(2)14-23-12-10-20(11-13-23)22(5)15-18-6-8-19(9-7-18)21-17(3)4/h16-21H,6-15H2,1-5H3.
What are the key properties of N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine?
N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine has a molecular weight of 323.57 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine is sourced from PubChem (CID 176629357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).