2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile

C16H28N2O — CID 64725366

IUPAC2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile
SMILESCC1CCCC(OC(C)CC(C)(C#N)NC2CC2)C1
InChIInChI=1S/C16H28N2O/c1-12-5-4-6-15(9-12)19-13(2)10-16(3,11-17)18-14-7-8-14/h12-15,18H,4-10H2,1-3H3
InChIKeyCWZRHVVLFLBCPI-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.39
Rot. Bonds6

About 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile

2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile (PubChem CID 64725366) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile
PubChem CID64725366
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile
SMILESCC1CCCC(OC(C)CC(C)(C#N)NC2CC2)C1
InChIInChI=1S/C16H28N2O/c1-12-5-4-6-15(9-12)19-13(2)10-16(3,11-17)18-14-7-8-14/h12-15,18H,4-10H2,1-3H3
InChIKeyCWZRHVVLFLBCPI-UHFFFAOYSA-N
XLogP3.39
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile
CID 64711751
2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile
CID 64726414
N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine
CID 115002291
2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile
CID 64727774
3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile
CID 62141603
2-methyl-2-(methylamino)-4-(3-methylcyclohexyl)oxypentanamide
CID 64707548
N-[2-(3-methylcyclohexyl)oxypropyl]cyclopentanamine
CID 62598845
2-(cyclopropylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentanenitrile
CID 82787982
2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727208
ethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate
CID 64707958
2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile
CID 64746754
2-methyl-4-(3-methylcyclohexyl)sulfanyl-2-(propan-2-ylamino)pentanenitrile
CID 64711558

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile (CID 64725366) is 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile is CC1CCCC(OC(C)CC(C)(C#N)NC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile?
The InChIKey is CWZRHVVLFLBCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-5-4-6-15(9-12)19-13(2)10-16(3,11-17)18-14-7-8-14/h12-15,18H,4-10H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile?
2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile has a molecular weight of 264.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile is sourced from PubChem (CID 64725366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).