N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine

C14H28N2 — CID 62574590

IUPACN-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine
SMILESCC1CCN(CCNC2CCCCCC2)C1
InChIInChI=1S/C14H28N2/c1-13-8-10-16(12-13)11-9-15-14-6-4-2-3-5-7-14/h13-15H,2-12H2,1H3
InChIKeyQFGXEVJVSMVZID-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds4

About N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine

N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine (PubChem CID 62574590) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine
PubChem CID62574590
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine
SMILESCC1CCN(CCNC2CCCCCC2)C1
InChIInChI=1S/C14H28N2/c1-13-8-10-16(12-13)11-9-15-14-6-4-2-3-5-7-14/h13-15H,2-12H2,1H3
InChIKeyQFGXEVJVSMVZID-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
CID 62561809
N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine
CID 79118522
1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167533
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine
CID 55024032
N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine
CID 55217199
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine
CID 62932033
4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
CID 63167536
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine
CID 113336240
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine
CID 71383118

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine (CID 62574590) is N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine is CC1CCN(CCNC2CCCCCC2)C1.
What is the InChIKey of N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine?
The InChIKey is QFGXEVJVSMVZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13-8-10-16(12-13)11-9-15-14-6-4-2-3-5-7-14/h13-15H,2-12H2,1H3.
What are the key properties of N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine?
N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 62574590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).