4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide

C14H31N3O — CID 63055362

IUPAC4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide
SMILESCC(C)CC(C)N(C)CCC(NC(C)C)C(N)=O
InChIInChI=1S/C14H31N3O/c1-10(2)9-12(5)17(6)8-7-13(14(15)18)16-11(3)4/h10-13,16H,7-9H2,1-6H3,(H2,15,18)
InChIKeyQQZNRMBMJUXEKY-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.59
Rot. Bonds9

About 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide

4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide (PubChem CID 63055362) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide
PubChem CID63055362
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide
SMILESCC(C)CC(C)N(C)CCC(NC(C)C)C(N)=O
InChIInChI=1S/C14H31N3O/c1-10(2)9-12(5)17(6)8-7-13(14(15)18)16-11(3)4/h10-13,16H,7-9H2,1-6H3,(H2,15,18)
InChIKeyQQZNRMBMJUXEKY-UHFFFAOYSA-N
XLogP1.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63055545
methyl 2-(ethylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanoate
CID 63053083
ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate
CID 63029192
4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide
CID 63699813
4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide
CID 63054146
4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide
CID 63054736
2-(ethylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide
CID 63055682
4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide
CID 63054512
4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide
CID 64521837
2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide
CID 55234469
2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide
CID 63030006
4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide
CID 63034299

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide (CID 63055362) is 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide is CC(C)CC(C)N(C)CCC(NC(C)C)C(N)=O.
What is the InChIKey of 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide?
The InChIKey is QQZNRMBMJUXEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-10(2)9-12(5)17(6)8-7-13(14(15)18)16-11(3)4/h10-13,16H,7-9H2,1-6H3,(H2,15,18).
What are the key properties of 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide?
4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide has a molecular weight of 257.42 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63055362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).