2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide

C13H28N2O — CID 115920256

IUPAC2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide
SMILESCCCCC(CC)NC(C)(C)C(=O)N(C)C
InChIInChI=1S/C13H28N2O/c1-7-9-10-11(8-2)14-13(3,4)12(16)15(5)6/h11,14H,7-10H2,1-6H3
InChIKeyOYWOMPFWFGZODS-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.41
Rot. Bonds7

About 2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide

2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide (PubChem CID 115920256) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide
PubChem CID115920256
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide
SMILESCCCCC(CC)NC(C)(C)C(=O)N(C)C
InChIInChI=1S/C13H28N2O/c1-7-9-10-11(8-2)14-13(3,4)12(16)15(5)6/h11,14H,7-10H2,1-6H3
InChIKeyOYWOMPFWFGZODS-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(heptan-3-ylamino)-2-methylpropanoate
CID 63944358
2-ethyl-N,N-dimethylhexanamide
CID 3019000
N-tert-butyl-2-(heptan-3-ylamino)propanamide
CID 115714332
N-(2-hydroxyhexyl)-N,2,2-trimethylpropanamide
CID 176640093
3-(1-aminohexan-2-yl)-1,1-dimethylurea
CID 80697976
1-[[(3R)-heptan-3-yl]amino]-2-methylpropan-2-ol
CID 96936020
2-ethyl-2-(octan-3-ylamino)heptanoic acid
CID 118599680
2-(2-hydroxypropan-2-yl)-N,N-dimethylhexanamide
CID 23126581
N,N,2-trimethyl-2-propan-2-ylhexanamide
CID 3016600
2-(ethylamino)-2-methyl-N-octan-4-ylpropanamide
CID 114138368
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
ethene;2,2,4-trimethyloctan-3-one
CID 162023724

Frequently Asked Questions

What is the IUPAC name of 2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide?
The IUPAC name of 2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide (CID 115920256) is 2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide is CCCCC(CC)NC(C)(C)C(=O)N(C)C.
What is the InChIKey of 2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide?
The InChIKey is OYWOMPFWFGZODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-9-10-11(8-2)14-13(3,4)12(16)15(5)6/h11,14H,7-10H2,1-6H3.
What are the key properties of 2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide?
2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide has a molecular weight of 228.38 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptan-3-ylamino)-N,N,2-trimethylpropanamide is sourced from PubChem (CID 115920256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).