N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C16H32N2 — CID 106604137

IUPACN-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCCCC1)CC1CCCN1
InChIInChI=1S/C16H32N2/c1-2-12-18(14-16-10-7-11-17-16)13-15-8-5-3-4-6-9-15/h15-17H,2-14H2,1H3
InChIKeyHEXLQYYPMNIYKE-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds6

About N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106604137) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106604137
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCCCC1)CC1CCCN1
InChIInChI=1S/C16H32N2/c1-2-12-18(14-16-10-7-11-17-16)13-15-8-5-3-4-6-9-15/h15-17H,2-14H2,1H3
InChIKeyHEXLQYYPMNIYKE-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622509
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106615678
N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine
CID 106615913
2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile
CID 106636097
N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616009
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933695

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106604137) is N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCCN(CC1CCCCCC1)CC1CCCN1.
What is the InChIKey of N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is HEXLQYYPMNIYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-2-12-18(14-16-10-7-11-17-16)13-15-8-5-3-4-6-9-15/h15-17H,2-14H2,1H3.
What are the key properties of N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106604137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).