2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide

C16H27N3O — CID 71101914

IUPAC2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide
SMILESCCC(C#N)N(C(=O)C(N)C1(C)CCCCC1)C1CC1
InChIInChI=1S/C16H27N3O/c1-3-12(11-17)19(13-7-8-13)15(20)14(18)16(2)9-5-4-6-10-16/h12-14H,3-10,18H2,1-2H3
InChIKeyCRDUBHNATWKVDI-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.58
Rot. Bonds5

About 2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide

2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide (PubChem CID 71101914) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide
PubChem CID71101914
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide
SMILESCCC(C#N)N(C(=O)C(N)C1(C)CCCCC1)C1CC1
InChIInChI=1S/C16H27N3O/c1-3-12(11-17)19(13-7-8-13)15(20)14(18)16(2)9-5-4-6-10-16/h12-14H,3-10,18H2,1-2H3
InChIKeyCRDUBHNATWKVDI-UHFFFAOYSA-N
XLogP2.58
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide?
The IUPAC name of 2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide (CID 71101914) is 2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide?
The canonical SMILES for 2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide is CCC(C#N)N(C(=O)C(N)C1(C)CCCCC1)C1CC1.
What is the InChIKey of 2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide?
The InChIKey is CRDUBHNATWKVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-12(11-17)19(13-7-8-13)15(20)14(18)16(2)9-5-4-6-10-16/h12-14H,3-10,18H2,1-2H3.
What are the key properties of 2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide?
2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyanopropyl)-N-cyclopropyl-2-(1-methylcyclohexyl)acetamide is sourced from PubChem (CID 71101914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).