2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide

C13H29N3O — CID 62007962

IUPAC2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(CC)C(C)(C)CN
InChIInChI=1S/C13H29N3O/c1-6-8-11(3)15-12(17)9-16(7-2)13(4,5)10-14/h11H,6-10,14H2,1-5H3,(H,15,17)
InChIKeyDLNXCJYIWBCEHA-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.35
Rot. Bonds8

About 2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide

2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide (PubChem CID 62007962) 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)-ethylamino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide
PubChem CID62007962
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(CC)C(C)(C)CN
InChIInChI=1S/C13H29N3O/c1-6-8-11(3)15-12(17)9-16(7-2)13(4,5)10-14/h11H,6-10,14H2,1-5H3,(H,15,17)
InChIKeyDLNXCJYIWBCEHA-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide
CID 62009596
2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 62007770
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide
CID 115596141
2-[2-aminopropyl(methyl)amino]-N-pentan-2-ylacetamide
CID 63759359
2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide
CID 61490080
2-(1-amino-2-methylpropan-2-yl)oxy-N-pentan-2-ylacetamide
CID 65053735
N'-pentan-2-ylpropanediamide
CID 88934201
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide
CID 62008327
2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62820250
2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide
CID 65050698
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide
CID 79652457
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide
CID 61489756

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide (CID 62007962) is 2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(CC)C(C)(C)CN.
What is the InChIKey of 2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide?
The InChIKey is DLNXCJYIWBCEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-6-8-11(3)15-12(17)9-16(7-2)13(4,5)10-14/h11H,6-10,14H2,1-5H3,(H,15,17).
What are the key properties of 2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide?
2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide has a molecular weight of 243.39 g/mol, XLogP of 1.35, 8 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)-ethylamino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 62007962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).