4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide

C14H27N3O — CID 64521837

IUPAC4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCN(CC1CC1)C1CC1)C(N)=O
InChIInChI=1S/C14H27N3O/c1-10(2)16-13(14(15)18)7-8-17(12-5-6-12)9-11-3-4-11/h10-13,16H,3-9H2,1-2H3,(H2,15,18)
InChIKeySIASKJUAKCOYAP-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.10
Rot. Bonds9

About 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide

4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide (PubChem CID 64521837) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide
PubChem CID64521837
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCN(CC1CC1)C1CC1)C(N)=O
InChIInChI=1S/C14H27N3O/c1-10(2)16-13(14(15)18)7-8-17(12-5-6-12)9-11-3-4-11/h10-13,16H,3-9H2,1-2H3,(H2,15,18)
InChIKeySIASKJUAKCOYAP-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide
CID 64521638
4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide
CID 63054146
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butanoate
CID 78923978
4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63029791
4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanamide
CID 63029394
4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide
CID 63041185
4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide
CID 63055054
4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide
CID 106204298
ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate
CID 78977501
4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide
CID 63699813
4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide
CID 63028170
3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide
CID 64521353

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide (CID 64521837) is 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide is CC(C)NC(CCN(CC1CC1)C1CC1)C(N)=O.
What is the InChIKey of 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide?
The InChIKey is SIASKJUAKCOYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10(2)16-13(14(15)18)7-8-17(12-5-6-12)9-11-3-4-11/h10-13,16H,3-9H2,1-2H3,(H2,15,18).
What are the key properties of 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide?
4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide has a molecular weight of 253.39 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 64521837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).