3-(hexan-3-ylamino)-N-propan-2-ylbutanamide

C13H28N2O — CID 115905985

IUPAC3-(hexan-3-ylamino)-N-propan-2-ylbutanamide
SMILESCCCC(CC)NC(C)CC(=O)NC(C)C
InChIInChI=1S/C13H28N2O/c1-6-8-12(7-2)15-11(5)9-13(16)14-10(3)4/h10-12,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyCZMLEZYKBYONFW-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.46
Rot. Bonds8

About 3-(hexan-3-ylamino)-N-propan-2-ylbutanamide

3-(hexan-3-ylamino)-N-propan-2-ylbutanamide (PubChem CID 115905985) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(hexan-3-ylamino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-(hexan-3-ylamino)-N-propan-2-ylbutanamide
PubChem CID115905985
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-(hexan-3-ylamino)-N-propan-2-ylbutanamide
SMILESCCCC(CC)NC(C)CC(=O)NC(C)C
InChIInChI=1S/C13H28N2O/c1-6-8-12(7-2)15-11(5)9-13(16)14-10(3)4/h10-12,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyCZMLEZYKBYONFW-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(hexan-3-ylamino)butanoate
CID 62117257
3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide
CID 115724429
3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide
CID 115724442
3-butyl-N-propan-2-yloctanamide
CID 90867024
2-N-hexan-3-ylpropane-1,2-diamine
CID 103389738
2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512
N-butan-2-ylheptan-4-amine
CID 43190303
methyl 3-(1-hydroxypentan-3-ylamino)butanoate
CID 115976781
2-(octan-4-ylamino)-N-propan-2-ylacetamide
CID 103776277
N-pentan-3-ylhexan-3-amine
CID 62118915
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
CID 43420332
N-(1-ethoxypropan-2-yl)hexan-3-amine
CID 115888994

Frequently Asked Questions

What is the IUPAC name of 3-(hexan-3-ylamino)-N-propan-2-ylbutanamide?
The IUPAC name of 3-(hexan-3-ylamino)-N-propan-2-ylbutanamide (CID 115905985) is 3-(hexan-3-ylamino)-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-(hexan-3-ylamino)-N-propan-2-ylbutanamide?
The canonical SMILES for 3-(hexan-3-ylamino)-N-propan-2-ylbutanamide is CCCC(CC)NC(C)CC(=O)NC(C)C.
What is the InChIKey of 3-(hexan-3-ylamino)-N-propan-2-ylbutanamide?
The InChIKey is CZMLEZYKBYONFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-8-12(7-2)15-11(5)9-13(16)14-10(3)4/h10-12,15H,6-9H2,1-5H3,(H,14,16).
What are the key properties of 3-(hexan-3-ylamino)-N-propan-2-ylbutanamide?
3-(hexan-3-ylamino)-N-propan-2-ylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexan-3-ylamino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 115905985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).