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

C14H28N2 — CID 2845256

IUPACN-[2-(1-methylpyrrolidin-2-yl)ethyl]cycloheptanamine
SMILESCN1CCCC1CCNC1CCCCCC1
InChIInChI=1S/C14H28N2/c1-16-12-6-9-14(16)10-11-15-13-7-4-2-3-5-8-13/h13-15H,2-12H2,1H3
InChIKeyBQRISDKXWFCCJB-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.78
Rot. Bonds4

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

N-[2-(1-methylpyrrolidin-2-yl)ethyl]cycloheptanamine (PubChem CID 2845256) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolidin-2-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]cycloheptanamine
PubChem CID2845256
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]cycloheptanamine
SMILESCN1CCCC1CCNC1CCCCCC1
InChIInChI=1S/C14H28N2/c1-16-12-6-9-14(16)10-11-15-13-7-4-2-3-5-8-13/h13-15H,2-12H2,1H3
InChIKeyBQRISDKXWFCCJB-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]cycloheptanamine (CID 2845256) is N-[2-(1-methylpyrrolidin-2-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(1-methylpyrrolidin-2-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(1-methylpyrrolidin-2-yl)ethyl]cycloheptanamine is CN1CCCC1CCNC1CCCCCC1.
What is the InChIKey of N-[2-(1-methylpyrrolidin-2-yl)ethyl]cycloheptanamine?
The InChIKey is BQRISDKXWFCCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-16-12-6-9-14(16)10-11-15-13-7-4-2-3-5-8-13/h13-15H,2-12H2,1H3.
What are the key properties of N-[2-(1-methylpyrrolidin-2-yl)ethyl]cycloheptanamine?
N-[2-(1-methylpyrrolidin-2-yl)ethyl]cycloheptanamine has a molecular weight of 224.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolidin-2-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 2845256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).