4-amino-N-(3-methylpentan-2-yl)butanamide

C10H22N2O — CID 61464020

IUPAC4-amino-N-(3-methylpentan-2-yl)butanamide
SMILESCCC(C)C(C)NC(=O)CCCN
InChIInChI=1S/C10H22N2O/c1-4-8(2)9(3)12-10(13)6-5-7-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyDMSAECAMGKVLAC-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.28
Rot. Bonds6

About 4-amino-N-(3-methylpentan-2-yl)butanamide

4-amino-N-(3-methylpentan-2-yl)butanamide (PubChem CID 61464020) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-amino-N-(3-methylpentan-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(3-methylpentan-2-yl)butanamide
PubChem CID61464020
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-amino-N-(3-methylpentan-2-yl)butanamide
SMILESCCC(C)C(C)NC(=O)CCCN
InChIInChI=1S/C10H22N2O/c1-4-8(2)9(3)12-10(13)6-5-7-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyDMSAECAMGKVLAC-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-N-(3-methylpentan-2-yl)heptanamide
CID 61464292
10-hydroxy-N-(3-methylpentan-2-yl)decanamide
CID 177174956
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
N-[(2R)-3-methylpentan-2-yl]propanamide
CID 145216410
methyl (2S)-2-(6-aminohexanoylamino)-3-methylbutanoate
CID 43707609
ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate
CID 60712403
3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide
CID 55117162
2-[(2S)-2-(4-aminobutanoylamino)-3-methylbutanoyl]oxyacetic acid
CID 88551584
methyl (2S)-2-[[6-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoyl]amino]-3-methylbutanoate
CID 177496792
3-amino-N-(2-methylpentan-3-yl)propanamide
CID 61472687
4-amino-N-(4-methoxy-4-methylpentan-2-yl)butanamide
CID 119334828
N-(4-hydroxy-3-methylbutan-2-yl)decanamide
CID 115770870

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methylpentan-2-yl)butanamide?
The IUPAC name of 4-amino-N-(3-methylpentan-2-yl)butanamide (CID 61464020) is 4-amino-N-(3-methylpentan-2-yl)butanamide.
What is the SMILES notation for 4-amino-N-(3-methylpentan-2-yl)butanamide?
The canonical SMILES for 4-amino-N-(3-methylpentan-2-yl)butanamide is CCC(C)C(C)NC(=O)CCCN.
What is the InChIKey of 4-amino-N-(3-methylpentan-2-yl)butanamide?
The InChIKey is DMSAECAMGKVLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-8(2)9(3)12-10(13)6-5-7-11/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 4-amino-N-(3-methylpentan-2-yl)butanamide?
4-amino-N-(3-methylpentan-2-yl)butanamide has a molecular weight of 186.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methylpentan-2-yl)butanamide is sourced from PubChem (CID 61464020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).