2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide

C15H31N3O — CID 63760267

IUPAC2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(CCN)C1CCCCC1
InChIInChI=1S/C15H31N3O/c1-3-13(4-2)17-15(19)12-18(11-10-16)14-8-6-5-7-9-14/h13-14H,3-12,16H2,1-2H3,(H,17,19)
InChIKeyBIHKVTCYTOGCIB-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.88
Rot. Bonds8

About 2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide

2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide (PubChem CID 63760267) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide
PubChem CID63760267
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(CCN)C1CCCCC1
InChIInChI=1S/C15H31N3O/c1-3-13(4-2)17-15(19)12-18(11-10-16)14-8-6-5-7-9-14/h13-14H,3-12,16H2,1-2H3,(H,17,19)
InChIKeyBIHKVTCYTOGCIB-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide
CID 61487094
2-[3-aminopropyl(cycloheptyl)amino]-N-butan-2-ylacetamide
CID 43137666
2-[3-aminopropyl(cyclopentyl)amino]-N-propan-2-ylacetamide
CID 43137564
2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide
CID 102875096
2-[2-aminoethyl(cycloheptyl)amino]acetic acid
CID 117013481
2-[2-aminoethyl(cyclohexyl)amino]-N,N-diethylacetamide
CID 63760461
2-[2-aminoethyl(cyclopropyl)amino]-N-cycloheptylacetamide
CID 62548939
2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 61486750
2-[3-aminopropyl(cyclopentyl)amino]-N-methylacetamide
CID 43137553
2-[2-aminoethyl(cyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 102875295
N-(1-aminobutan-2-yl)-2-cycloheptylacetamide
CID 114458426
2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 61486524

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide (CID 63760267) is 2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN(CCN)C1CCCCC1.
What is the InChIKey of 2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide?
The InChIKey is BIHKVTCYTOGCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-13(4-2)17-15(19)12-18(11-10-16)14-8-6-5-7-9-14/h13-14H,3-12,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide?
2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 63760267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).