1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile

C17H33N3 — CID 79566113

IUPAC1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCCCN(CCC1CCCC1(C#N)NC(C)C)C(C)C
InChIInChI=1S/C17H33N3/c1-6-11-20(15(4)5)12-9-16-8-7-10-17(16,13-18)19-14(2)3/h14-16,19H,6-12H2,1-5H3
InChIKeyODTZRRHUEBQMRY-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.56
Rot. Bonds8

About 1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile

1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79566113) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile
PubChem CID79566113
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCCCN(CCC1CCCC1(C#N)NC(C)C)C(C)C
InChIInChI=1S/C17H33N3/c1-6-11-20(15(4)5)12-9-16-8-7-10-17(16,13-18)19-14(2)3/h14-16,19H,6-12H2,1-5H3
InChIKeyODTZRRHUEBQMRY-UHFFFAOYSA-N
XLogP3.56
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile (CID 79566113) is 1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile is CCCN(CCC1CCCC1(C#N)NC(C)C)C(C)C.
What is the InChIKey of 1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is ODTZRRHUEBQMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-6-11-20(15(4)5)12-9-16-8-7-10-17(16,13-18)19-14(2)3/h14-16,19H,6-12H2,1-5H3.
What are the key properties of 1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile?
1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 279.47 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79566113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).