4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide

C13H28N2O — CID 81087048

IUPAC4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
SMILESCC(C)CCCC(C)NC(=O)CC(C)CN
InChIInChI=1S/C13H28N2O/c1-10(2)6-5-7-12(4)15-13(16)8-11(3)9-14/h10-12H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyHOWWOIZOPLKUQD-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.30
Rot. Bonds8

About 4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide

4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide (PubChem CID 81087048) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
PubChem CID81087048
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
SMILESCC(C)CCCC(C)NC(=O)CC(C)CN
InChIInChI=1S/C13H28N2O/c1-10(2)6-5-7-12(4)15-13(16)8-11(3)9-14/h10-12H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyHOWWOIZOPLKUQD-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-amino-3-methylbutanoyl)amino]-2-methylheptanoic acid
CID 81080313
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide
CID 62837477
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide
CID 81087723
3-methyl-5-(5-methylhexan-2-ylamino)-5-oxopentanoic acid
CID 62966251
N-(6-methylheptan-2-yl)butanamide
CID 60644759
3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 64676802
5-amino-N-heptan-2-yl-4-methylpentanamide
CID 82012192
3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide
CID 106112569
methyl 2-[(4-amino-3-methylbutanoyl)amino]-4-methylpentanoate
CID 81076154
(2S)-2,6-dimethylheptan-1-amine
CID 13329794

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide (CID 81087048) is 4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide is CC(C)CCCC(C)NC(=O)CC(C)CN.
What is the InChIKey of 4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide?
The InChIKey is HOWWOIZOPLKUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)6-5-7-12(4)15-13(16)8-11(3)9-14/h10-12H,5-9,14H2,1-4H3,(H,15,16).
What are the key properties of 4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide?
4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide has a molecular weight of 228.38 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide is sourced from PubChem (CID 81087048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).