1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile

C17H33N3 — CID 79625202

IUPAC1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCCCCCN(C(C)C)C1CCCC(C#N)(NCC)C1
InChIInChI=1S/C17H33N3/c1-5-7-8-12-20(15(3)4)16-10-9-11-17(13-16,14-18)19-6-2/h15-16,19H,5-13H2,1-4H3
InChIKeyXNIHFVSTZDDFAH-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.70
Rot. Bonds8

About 1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile

1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 79625202) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
PubChem CID79625202
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCCCCCN(C(C)C)C1CCCC(C#N)(NCC)C1
InChIInChI=1S/C17H33N3/c1-5-7-8-12-20(15(3)4)16-10-9-11-17(13-16,14-18)19-6-2/h15-16,19H,5-13H2,1-4H3
InChIKeyXNIHFVSTZDDFAH-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[butan-2-yl(butyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79628235
1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625121
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626199
1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carbonitrile
CID 81062280
3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625630
3-[butan-2-yl(2-methoxyethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79628582
1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625349
1-(ethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carbonitrile
CID 79639770
1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79642020
1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 79625056
3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79638951
[3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656708

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile (CID 79625202) is 1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile is CCCCCN(C(C)C)C1CCCC(C#N)(NCC)C1.
What is the InChIKey of 1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is XNIHFVSTZDDFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-5-7-8-12-20(15(3)4)16-10-9-11-17(13-16,14-18)19-6-2/h15-16,19H,5-13H2,1-4H3.
What are the key properties of 1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile?
1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 279.47 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).