N-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine

C16H30N2 — CID 112740312

IUPACN-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine
SMILESCCCN(CC1CCNCC1)C1CCCC2CC21
InChIInChI=1S/C16H30N2/c1-2-10-18(12-13-6-8-17-9-7-13)16-5-3-4-14-11-15(14)16/h13-17H,2-12H2,1H3
InChIKeyXYRPGIMYZAHYIS-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.89
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine

N-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine (PubChem CID 112740312) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine
PubChem CID112740312
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine
SMILESCCCN(CC1CCNCC1)C1CCCC2CC21
InChIInChI=1S/C16H30N2/c1-2-10-18(12-13-6-8-17-9-7-13)16-5-3-4-14-11-15(14)16/h13-17H,2-12H2,1H3
InChIKeyXYRPGIMYZAHYIS-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-N-propylazepan-4-amine
CID 63902557
3-methyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79715188
N-ethyl-2,3-dimethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine
CID 79715470
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
CID 79715542
N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 79696968
3,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propylcyclohexan-1-amine
CID 106625170
N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine
CID 79715823
N-(cyclopropylmethyl)-4-methylsulfanyl-N-propylpyrrolidin-3-amine
CID 82760567
2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine
CID 55194190
6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol
CID 79836124
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 79714194
N-cyclopropyl-2-methyl-N-(piperidin-4-ylmethyl)cyclopentan-1-amine
CID 79715371

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine (CID 112740312) is N-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine is CCCN(CC1CCNCC1)C1CCCC2CC21.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine?
The InChIKey is XYRPGIMYZAHYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-10-18(12-13-6-8-17-9-7-13)16-5-3-4-14-11-15(14)16/h13-17H,2-12H2,1H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine?
N-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine has a molecular weight of 250.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine is sourced from PubChem (CID 112740312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).