4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine

C16H32N2 — CID 65087017

IUPAC4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine
SMILESCCCC1CCCC(NCCN2CCCC2)CC1
InChIInChI=1S/C16H32N2/c1-2-6-15-7-5-8-16(10-9-15)17-11-14-18-12-3-4-13-18/h15-17H,2-14H2,1H3
InChIKeyOTBAPPUDNHQGMV-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds6

About 4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine

4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine (PubChem CID 65087017) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine
PubChem CID65087017
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine
SMILESCCCC1CCCC(NCCN2CCCC2)CC1
InChIInChI=1S/C16H32N2/c1-2-6-15-7-5-8-16(10-9-15)17-11-14-18-12-3-4-13-18/h15-17H,2-14H2,1H3
InChIKeyOTBAPPUDNHQGMV-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

4-methyl-N-[2-(4-propylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 63503899
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride
CID 154577414
4-tert-butyl-N-(2-piperidin-1-ylethyl)cyclohexan-1-amine
CID 742513
N-[2-(azepan-1-yl)ethyl]-4-tert-butylcyclohexan-1-amine
CID 63455790
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propylcyclohexan-1-amine
CID 28656952
3-ethyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 64500277
N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine
CID 113494628
N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091371
1-butyl-N-(4-propylcycloheptyl)piperidin-4-amine
CID 65091542

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine?
The IUPAC name of 4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine (CID 65087017) is 4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine?
The canonical SMILES for 4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine is CCCC1CCCC(NCCN2CCCC2)CC1.
What is the InChIKey of 4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine?
The InChIKey is OTBAPPUDNHQGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-2-6-15-7-5-8-16(10-9-15)17-11-14-18-12-3-4-13-18/h15-17H,2-14H2,1H3.
What are the key properties of 4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine?
4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-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 4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine is sourced from PubChem (CID 65087017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).