N,N-diethyl-3-(hexan-2-ylamino)propanamide

C13H28N2O — CID 60926870

IUPACN,N-diethyl-3-(hexan-2-ylamino)propanamide
SMILESCCCCC(C)NCCC(=O)N(CC)CC
InChIInChI=1S/C13H28N2O/c1-5-8-9-12(4)14-11-10-13(16)15(6-2)7-3/h12,14H,5-11H2,1-4H3
InChIKeyFZQXRASLTWPGFI-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.41
Rot. Bonds9

About N,N-diethyl-3-(hexan-2-ylamino)propanamide

N,N-diethyl-3-(hexan-2-ylamino)propanamide (PubChem CID 60926870) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N,N-diethyl-3-(hexan-2-ylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(hexan-2-ylamino)propanamide
PubChem CID60926870
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN,N-diethyl-3-(hexan-2-ylamino)propanamide
SMILESCCCCC(C)NCCC(=O)N(CC)CC
InChIInChI=1S/C13H28N2O/c1-5-8-9-12(4)14-11-10-13(16)15(6-2)7-3/h12,14H,5-11H2,1-4H3
InChIKeyFZQXRASLTWPGFI-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate
CID 103868418
N,N-diethyl-2-(heptan-2-ylamino)acetamide
CID 60688008
N,N-diethyl-3-(1-methoxypropan-2-ylamino)propanamide
CID 62537003
5-(hexan-2-ylamino)pentanamide
CID 106234439
N-(3-methylbut-3-enyl)hexan-2-amine
CID 114472228
7-(hexan-2-ylamino)heptan-2-one
CID 155112417
3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide
CID 115710436
N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide
CID 60765757
N,N-diethyl-3-(heptylamino)propanamide
CID 54936007
N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
CID 112685329
1,1-diethyl-3-heptan-2-ylurea
CID 78889279
5-amino-N,N-diethylhexanamide
CID 82848451

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(hexan-2-ylamino)propanamide?
The IUPAC name of N,N-diethyl-3-(hexan-2-ylamino)propanamide (CID 60926870) is N,N-diethyl-3-(hexan-2-ylamino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(hexan-2-ylamino)propanamide?
The canonical SMILES for N,N-diethyl-3-(hexan-2-ylamino)propanamide is CCCCC(C)NCCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-(hexan-2-ylamino)propanamide?
The InChIKey is FZQXRASLTWPGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-8-9-12(4)14-11-10-13(16)15(6-2)7-3/h12,14H,5-11H2,1-4H3.
What are the key properties of N,N-diethyl-3-(hexan-2-ylamino)propanamide?
N,N-diethyl-3-(hexan-2-ylamino)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(hexan-2-ylamino)propanamide is sourced from PubChem (CID 60926870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).