2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide

C14H29N3O — CID 79723960

IUPAC2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC1CCC(N)CC1)C(=O)N(C)C
InChIInChI=1S/C14H29N3O/c1-10(2)9-13(14(18)17(3)4)16-12-7-5-11(15)6-8-12/h10-13,16H,5-9,15H2,1-4H3
InChIKeyCTWFWFAKTFAQJZ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds5

About 2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide

2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide (PubChem CID 79723960) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide
PubChem CID79723960
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC1CCC(N)CC1)C(=O)N(C)C
InChIInChI=1S/C14H29N3O/c1-10(2)9-13(14(18)17(3)4)16-12-7-5-11(15)6-8-12/h10-13,16H,5-9,15H2,1-4H3
InChIKeyCTWFWFAKTFAQJZ-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide (CID 79723960) is 2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide is CC(C)CC(NC1CCC(N)CC1)C(=O)N(C)C.
What is the InChIKey of 2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide?
The InChIKey is CTWFWFAKTFAQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10(2)9-13(14(18)17(3)4)16-12-7-5-11(15)6-8-12/h10-13,16H,5-9,15H2,1-4H3.
What are the key properties of 2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide?
2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)amino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 79723960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).