3-(5-methylhexan-2-ylamino)propanamide

C10H22N2O — CID 43398450

IUPAC3-(5-methylhexan-2-ylamino)propanamide
SMILESCC(C)CCC(C)NCCC(N)=O
InChIInChI=1S/C10H22N2O/c1-8(2)4-5-9(3)12-7-6-10(11)13/h8-9,12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyWXMKFZKQNXQNBS-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.28
Rot. Bonds7

About 3-(5-methylhexan-2-ylamino)propanamide

3-(5-methylhexan-2-ylamino)propanamide (PubChem CID 43398450) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-(5-methylhexan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(5-methylhexan-2-ylamino)propanamide
PubChem CID43398450
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-(5-methylhexan-2-ylamino)propanamide
SMILESCC(C)CCC(C)NCCC(N)=O
InChIInChI=1S/C10H22N2O/c1-8(2)4-5-9(3)12-7-6-10(11)13/h8-9,12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyWXMKFZKQNXQNBS-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide
CID 77029951
3-(propan-2-ylamino)propanamide
CID 18768059
5-(5-methylhexan-2-ylamino)pentanoic acid
CID 103252184
5-(hexan-2-ylamino)pentanamide
CID 106234439
N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide
CID 77030340
4,7-dimethyloctanamide
CID 16638041
3-(1,1-difluoropropan-2-ylamino)propanamide
CID 102868267
N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
CID 77030148
N'-(5-methylhexan-2-yl)propane-1,3-diamine
CID 60889893
2-[(3-amino-3-oxopropyl)amino]-N-(2-methylpropyl)propanamide
CID 43553515
3-(3-methylpentan-2-ylamino)propanamide
CID 43553184
N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide
CID 60765757

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylhexan-2-ylamino)propanamide?
The IUPAC name of 3-(5-methylhexan-2-ylamino)propanamide (CID 43398450) is 3-(5-methylhexan-2-ylamino)propanamide.
What is the SMILES notation for 3-(5-methylhexan-2-ylamino)propanamide?
The canonical SMILES for 3-(5-methylhexan-2-ylamino)propanamide is CC(C)CCC(C)NCCC(N)=O.
What is the InChIKey of 3-(5-methylhexan-2-ylamino)propanamide?
The InChIKey is WXMKFZKQNXQNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)4-5-9(3)12-7-6-10(11)13/h8-9,12H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 3-(5-methylhexan-2-ylamino)propanamide?
3-(5-methylhexan-2-ylamino)propanamide has a molecular weight of 186.30 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhexan-2-ylamino)propanamide is sourced from PubChem (CID 43398450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).