N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine

C17H32N2 — CID 106625038

IUPACN-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESC1CCCC(CN(CC2CCCNC2)C2CC2)CC1
InChIInChI=1S/C17H32N2/c1-2-4-7-15(6-3-1)13-19(17-9-10-17)14-16-8-5-11-18-12-16/h15-18H,1-14H2
InChIKeyNJLWIKVKCQPXDY-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.42
Rot. Bonds5

About N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine

N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106625038) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106625038
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESC1CCCC(CN(CC2CCCNC2)C2CC2)CC1
InChIInChI=1S/C17H32N2/c1-2-4-7-15(6-3-1)13-19(17-9-10-17)14-16-8-5-11-18-12-16/h15-18H,1-14H2
InChIKeyNJLWIKVKCQPXDY-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetamide
CID 106639591
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639574
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491
6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol
CID 107705718
N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624769
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol
CID 106640266
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N,N-dimethylacetamide
CID 106639825
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 56831738
N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine
CID 86323570

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106625038) is N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine is C1CCCC(CN(CC2CCCNC2)C2CC2)CC1.
What is the InChIKey of N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is NJLWIKVKCQPXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-2-4-7-15(6-3-1)13-19(17-9-10-17)14-16-8-5-11-18-12-16/h15-18H,1-14H2.
What are the key properties of N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 264.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106625038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).