N-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide

C14H28N2O — CID 135235081

IUPACN-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide
SMILESC=C[C@@H](CC)[C@@H](C)NC(=O)CCCCCNC
InChIInChI=1S/C14H28N2O/c1-5-13(6-2)12(3)16-14(17)10-8-7-9-11-15-4/h5,12-13,15H,1,6-11H2,2-4H3,(H,16,17)/t12-,13+/m1/s1
InChIKeySSNGSQIFIIBFPM-OLZOCXBDSA-N
MW240.39 g/mol
LogP2.48
Rot. Bonds10

About N-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide

N-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide (PubChem CID 135235081) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide.

Molecular Properties

Compound NameN-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide
PubChem CID135235081
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide
SMILESC=C[C@@H](CC)[C@@H](C)NC(=O)CCCCCNC
InChIInChI=1S/C14H28N2O/c1-5-13(6-2)12(3)16-14(17)10-8-7-9-11-15-4/h5,12-13,15H,1,6-11H2,2-4H3,(H,16,17)/t12-,13+/m1/s1
InChIKeySSNGSQIFIIBFPM-OLZOCXBDSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-11-(methylamino)undecanamide
CID 59809097
2-[4-(methylamino)butanoylamino]butanoic acid
CID 61161586
10-hydroxy-N-(3-methylpentan-2-yl)decanamide
CID 177174956
(2S)-3-methyl-2-[4-(methylamino)butanoylamino]pentanoic acid
CID 61174333
CID 171563781
CID 171563781
7-amino-N-(3-methylpentan-2-yl)heptanamide
CID 61464292
N,N'-di(propan-2-yl)decanediamide
CID 58997511
16-methyl-N-[1-(16-methylheptadecanoylamino)propyl]heptadecanamide
CID 173047475
N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride
CID 119791046
methyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate
CID 60841891
6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide
CID 168958989
6-acetamido-N-butan-2-ylhexanamide
CID 60652726

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide?
The IUPAC name of N-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide (CID 135235081) is N-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide.
What is the SMILES notation for N-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide?
The canonical SMILES for N-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide is C=C[C@@H](CC)[C@@H](C)NC(=O)CCCCCNC.
What is the InChIKey of N-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide?
The InChIKey is SSNGSQIFIIBFPM-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-13(6-2)12(3)16-14(17)10-8-7-9-11-15-4/h5,12-13,15H,1,6-11H2,2-4H3,(H,16,17)/t12-,13+/m1/s1.
What are the key properties of N-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide?
N-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide has a molecular weight of 240.39 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-3-ethylpent-4-en-2-yl]-6-(methylamino)hexanamide is sourced from PubChem (CID 135235081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).