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

C13H28N2O — CID 64676802

IUPAC3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
SMILESCC(C)CCCC(C)NC(=O)CC(C)(C)N
InChIInChI=1S/C13H28N2O/c1-10(2)7-6-8-11(3)15-12(16)9-13(4,5)14/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyKFTPCHKUDNHUQS-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.44
Rot. Bonds7

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

3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide (PubChem CID 64676802) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
PubChem CID64676802
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
SMILESCC(C)CCCC(C)NC(=O)CC(C)(C)N
InChIInChI=1S/C13H28N2O/c1-10(2)7-6-8-11(3)15-12(16)9-13(4,5)14/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyKFTPCHKUDNHUQS-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-hexan-2-yl-3-methylbutanamide
CID 64677229
3-amino-3-methyl-N-octan-2-ylbutanamide
CID 64684049
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
3-amino-3-methyl-N-(7-methyloctyl)butanamide
CID 64677184
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide
CID 115740017
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
N-(6-methylheptan-2-yl)butanamide
CID 60644759
4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 81087048
2-amino-2-methyl-N-(6-methylheptan-2-yl)pentanamide;hydrochloride
CID 119673366
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide
CID 79652457
(2R)-2-amino-3-methyl-3-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 106442510
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 79250532

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide (CID 64676802) is 3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide is CC(C)CCCC(C)NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide?
The InChIKey is KFTPCHKUDNHUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)7-6-8-11(3)15-12(16)9-13(4,5)14/h10-11H,6-9,14H2,1-5H3,(H,15,16).
What are the key properties of 3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide?
3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide has a molecular weight of 228.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide is sourced from PubChem (CID 64676802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).