1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile

C18H32N2 — CID 65089014

IUPAC1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile
SMILESCCCC1CCCC(C#N)(NC2CCCCCC2)CC1
InChIInChI=1S/C18H32N2/c1-2-8-16-9-7-13-18(15-19,14-12-16)20-17-10-5-3-4-6-11-17/h16-17,20H,2-14H2,1H3
InChIKeyCMMSIXJGDWPORH-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.94
Rot. Bonds4

About 1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile

1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile (PubChem CID 65089014) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile
PubChem CID65089014
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile
SMILESCCCC1CCCC(C#N)(NC2CCCCCC2)CC1
InChIInChI=1S/C18H32N2/c1-2-8-16-9-7-13-18(15-19,14-12-16)20-17-10-5-3-4-6-11-17/h16-17,20H,2-14H2,1H3
InChIKeyCMMSIXJGDWPORH-UHFFFAOYSA-N
XLogP4.94
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65088445
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667
1-[2-(dimethylamino)ethylamino]-4-propylcycloheptane-1-carbonitrile
CID 65089402
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726
N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine
CID 65382362
1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide
CID 65088965
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 79626858
8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile
CID 114818329
1-(3-chloroanilino)-4-propylcycloheptane-1-carbonitrile
CID 65088959
propylcyclotetradecane
CID 90991550

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile?
The IUPAC name of 1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile (CID 65089014) is 1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile?
The canonical SMILES for 1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile is CCCC1CCCC(C#N)(NC2CCCCCC2)CC1.
What is the InChIKey of 1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile?
The InChIKey is CMMSIXJGDWPORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-2-8-16-9-7-13-18(15-19,14-12-16)20-17-10-5-3-4-6-11-17/h16-17,20H,2-14H2,1H3.
What are the key properties of 1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile?
1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile has a molecular weight of 276.47 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile is sourced from PubChem (CID 65089014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).