2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide

C13H29N3O — CID 115596141

IUPAC2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(C)C(C)(C)CN
InChIInChI=1S/C13H29N3O/c1-7-8-10(2)15-12(17)11(3)16(6)13(4,5)9-14/h10-11H,7-9,14H2,1-6H3,(H,15,17)
InChIKeyMJRBICUNYPSXKG-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.35
Rot. Bonds7

About 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide

2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide (PubChem CID 115596141) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide
PubChem CID115596141
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(C)C(C)(C)CN
InChIInChI=1S/C13H29N3O/c1-7-8-10(2)15-12(17)11(3)16(6)13(4,5)9-14/h10-11H,7-9,14H2,1-6H3,(H,15,17)
InChIKeyMJRBICUNYPSXKG-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide
CID 113227840
(2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide
CID 95236092
2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide
CID 62007962
2-[2-hydroxyethyl(methyl)amino]-N-pentan-2-ylpropanamide
CID 62020256
2-[tert-butyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid
CID 79268870
2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide
CID 63759181
2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 43137331
2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide
CID 43137419
2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide
CID 62970139
(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
CID 61148058
2-(3-methylpentan-3-ylamino)-N-pentan-2-ylpropanamide
CID 106328554
2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide
CID 66184816

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide (CID 115596141) is 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N(C)C(C)(C)CN.
What is the InChIKey of 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide?
The InChIKey is MJRBICUNYPSXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-7-8-10(2)15-12(17)11(3)16(6)13(4,5)9-14/h10-11H,7-9,14H2,1-6H3,(H,15,17).
What are the key properties of 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide?
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide has a molecular weight of 243.39 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 115596141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).