2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide

C14H29N3O — CID 63919688

IUPAC2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide
SMILESCCCCN(CC(N)(C(N)=O)C1CC1)C(C)CC
InChIInChI=1S/C14H29N3O/c1-4-6-9-17(11(3)5-2)10-14(16,13(15)18)12-7-8-12/h11-12H,4-10,16H2,1-3H3,(H2,15,18)
InChIKeyYJLFZCJWBKWJNC-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.48
Rot. Bonds9

About 2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide

2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide (PubChem CID 63919688) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide
PubChem CID63919688
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide
SMILESCCCCN(CC(N)(C(N)=O)C1CC1)C(C)CC
InChIInChI=1S/C14H29N3O/c1-4-6-9-17(11(3)5-2)10-14(16,13(15)18)12-7-8-12/h11-12H,4-10,16H2,1-3H3,(H2,15,18)
InChIKeyYJLFZCJWBKWJNC-UHFFFAOYSA-N
XLogP1.48
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-3-[methyl(propyl)amino]propanamide
CID 63906412
2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanamide
CID 63909560
2-amino-2-cyclopropyl-3-[ethyl(propyl)amino]propanamide
CID 63910109
ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate
CID 63910108
2-amino-2-cyclopropyl-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 63909963
3-[butan-2-yl(butyl)amino]propanamide
CID 60648074
3-[butan-2-yl(butyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63914008
2-amino-2-cyclopropyl-3-[methyl-(4-methylcyclohexyl)amino]propanamide
CID 63917319
2-amino-2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]propanamide
CID 63925804
methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
CID 63907793
2-amino-2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81062105
1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine
CID 66453228

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide?
The IUPAC name of 2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide (CID 63919688) is 2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide?
The canonical SMILES for 2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide is CCCCN(CC(N)(C(N)=O)C1CC1)C(C)CC.
What is the InChIKey of 2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide?
The InChIKey is YJLFZCJWBKWJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-6-9-17(11(3)5-2)10-14(16,13(15)18)12-7-8-12/h11-12H,4-10,16H2,1-3H3,(H2,15,18).
What are the key properties of 2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide?
2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide is sourced from PubChem (CID 63919688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).