2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide

C16H35N3O — CID 79652457

IUPAC2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)CN(C)CC(C)(C)CN
InChIInChI=1S/C16H35N3O/c1-13(2)8-7-9-14(3)18-15(20)10-19(6)12-16(4,5)11-17/h13-14H,7-12,17H2,1-6H3,(H,18,20)
InChIKeyDCROHIZXXMSHCN-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.23
Rot. Bonds10

About 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide (PubChem CID 79652457) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide
PubChem CID79652457
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)CN(C)CC(C)(C)CN
InChIInChI=1S/C16H35N3O/c1-13(2)8-7-9-14(3)18-15(20)10-19(6)12-16(4,5)11-17/h13-14H,7-12,17H2,1-6H3,(H,18,20)
InChIKeyDCROHIZXXMSHCN-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 60986904
methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60670456
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 64676802
N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide
CID 115272569
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide
CID 112548702
4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 81087048
2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide
CID 71891384
2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 54900250
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexylacetamide
CID 79651871
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 79645523

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide (CID 79652457) is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide is CC(C)CCCC(C)NC(=O)CN(C)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is DCROHIZXXMSHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-13(2)8-7-9-14(3)18-15(20)10-19(6)12-16(4,5)11-17/h13-14H,7-12,17H2,1-6H3,(H,18,20).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide?
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 285.48 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 79652457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).