2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide

C15H30N2O — CID 106592741

IUPAC2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide
SMILESCCCC(CC)NC(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C15H30N2O/c1-4-7-14(5-2)17-15(18)11(3)12-8-6-9-13(16)10-12/h11-14H,4-10,16H2,1-3H3,(H,17,18)
InChIKeyXNVMCKCXUAQTHR-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.83
Rot. Bonds6

About 2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide

2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide (PubChem CID 106592741) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide
PubChem CID106592741
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide
SMILESCCCC(CC)NC(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C15H30N2O/c1-4-7-14(5-2)17-15(18)11(3)12-8-6-9-13(16)10-12/h11-14H,4-10,16H2,1-3H3,(H,17,18)
InChIKeyXNVMCKCXUAQTHR-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide
CID 106592721
2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide
CID 106592764
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 106592817
2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide
CID 106592825
2-(3-aminocyclohexyl)-N-cyclopentylpropanamide
CID 106592608
2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106592732
1-N-hexan-3-ylcyclohexane-1,3-diamine
CID 79458783
2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide
CID 106593109
2-(3-aminocyclohexyl)-N,N-dibutylpropanamide
CID 106592670
2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 106592649
2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 106592776
2-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
CID 106593096

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide (CID 106592741) is 2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide is CCCC(CC)NC(=O)C(C)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide?
The InChIKey is XNVMCKCXUAQTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-7-14(5-2)17-15(18)11(3)12-8-6-9-13(16)10-12/h11-14H,4-10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide?
2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide has a molecular weight of 254.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide is sourced from PubChem (CID 106592741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).