3-amino-3,3-dicyclohexylpropanenitrile

C15H26N2 — CID 174404681

IUPAC3-amino-3,3-dicyclohexylpropanenitrile
SMILESN#CCC(N)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26N2/c16-12-11-15(17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-11,17H2
InChIKeyBYHPRVRQTPBXOR-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.76
Rot. Bonds3

About 3-amino-3,3-dicyclohexylpropanenitrile

3-amino-3,3-dicyclohexylpropanenitrile (PubChem CID 174404681) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-amino-3,3-dicyclohexylpropanenitrile.

Molecular Properties

Compound Name3-amino-3,3-dicyclohexylpropanenitrile
PubChem CID174404681
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-amino-3,3-dicyclohexylpropanenitrile
SMILESN#CCC(N)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26N2/c16-12-11-15(17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-11,17H2
InChIKeyBYHPRVRQTPBXOR-UHFFFAOYSA-N
XLogP3.76
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

copper;1,1-di(cyclooctyl)ethane-1,2-diamine
CID 118577975
1,1-dicyclohexylpropane-1,3-diamine
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(2R)-2-amino-2-cyclohexylbutanenitrile
CID 67737237
dichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine
CID 174479679
3-chloro-3-cyclohexyl-4-phenylbutanenitrile
CID 141058574
3-cycloheptylpropanenitrile
CID 13164045
cyclodecyl(iodo)methanediamine
CID 156528266
2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride
CID 122239786
2-cycloundecylacetonitrile
CID 89159933
2,2,2-tricyclohexylethanamine
CID 57066061
1,1-di(cyclododecyl)propylcyclododecane
CID 91064013
(2R)-2-cyclohexylbut-3-yn-2-amine
CID 143939589

Frequently Asked Questions

What is the IUPAC name of 3-amino-3,3-dicyclohexylpropanenitrile?
The IUPAC name of 3-amino-3,3-dicyclohexylpropanenitrile (CID 174404681) is 3-amino-3,3-dicyclohexylpropanenitrile.
What is the SMILES notation for 3-amino-3,3-dicyclohexylpropanenitrile?
The canonical SMILES for 3-amino-3,3-dicyclohexylpropanenitrile is N#CCC(N)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 3-amino-3,3-dicyclohexylpropanenitrile?
The InChIKey is BYHPRVRQTPBXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c16-12-11-15(17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-11,17H2.
What are the key properties of 3-amino-3,3-dicyclohexylpropanenitrile?
3-amino-3,3-dicyclohexylpropanenitrile has a molecular weight of 234.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,3-dicyclohexylpropanenitrile is sourced from PubChem (CID 174404681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).