2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile

C16H31N3 — CID 62741280

IUPAC2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile
SMILESCCN(CC)CCCC(C)NC1CCCCC1C#N
InChIInChI=1S/C16H31N3/c1-4-19(5-2)12-8-9-14(3)18-16-11-7-6-10-15(16)13-17/h14-16,18H,4-12H2,1-3H3
InChIKeyWOCGFMILTYUFSP-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.17
Rot. Bonds8

About 2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile

2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile (PubChem CID 62741280) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile
PubChem CID62741280
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile
SMILESCCN(CC)CCCC(C)NC1CCCCC1C#N
InChIInChI=1S/C16H31N3/c1-4-19(5-2)12-8-9-14(3)18-16-11-7-6-10-15(16)13-17/h14-16,18H,4-12H2,1-3H3
InChIKeyWOCGFMILTYUFSP-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile (CID 62741280) is 2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile is CCN(CC)CCCC(C)NC1CCCCC1C#N.
What is the InChIKey of 2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile?
The InChIKey is WOCGFMILTYUFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-19(5-2)12-8-9-14(3)18-16-11-7-6-10-15(16)13-17/h14-16,18H,4-12H2,1-3H3.
What are the key properties of 2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile?
2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile has a molecular weight of 265.44 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62741280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).