2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile

C14H22N2 — CID 64521146

IUPAC2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1N(CC1CC1)C1CC1
InChIInChI=1S/C14H22N2/c15-9-12-3-1-2-4-14(12)16(13-7-8-13)10-11-5-6-11/h11-14H,1-8,10H2
InChIKeyLCOSYECVRMIDBZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.94
Rot. Bonds4

About 2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile

2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile (PubChem CID 64521146) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile
PubChem CID64521146
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1N(CC1CC1)C1CC1
InChIInChI=1S/C14H22N2/c15-9-12-3-1-2-4-14(12)16(13-7-8-13)10-11-5-6-11/h11-14H,1-8,10H2
InChIKeyLCOSYECVRMIDBZ-UHFFFAOYSA-N
XLogP2.94
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile (CID 64521146) is 2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile is N#CC1CCCCC1N(CC1CC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is LCOSYECVRMIDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-9-12-3-1-2-4-14(12)16(13-7-8-13)10-11-5-6-11/h11-14H,1-8,10H2.
What are the key properties of 2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile?
2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 218.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 64521146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).