N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine

C15H31N — CID 11031535

IUPACN-[(2S)-2-ethylbut-3-enyl]nonan-1-amine
SMILESC=C[C@H](CC)CNCCCCCCCCC
InChIInChI=1S/C15H31N/c1-4-7-8-9-10-11-12-13-16-14-15(5-2)6-3/h5,15-16H,2,4,6-14H2,1,3H3/t15-/m1/s1
InChIKeyCMTHQTSNUXUUDP-OAHLLOKOSA-N
MW225.42 g/mol
LogP4.54
Rot. Bonds12

About N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine

N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine (PubChem CID 11031535) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine.

Molecular Properties

Compound NameN-[(2S)-2-ethylbut-3-enyl]nonan-1-amine
PubChem CID11031535
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-[(2S)-2-ethylbut-3-enyl]nonan-1-amine
SMILESC=C[C@H](CC)CNCCCCCCCCC
InChIInChI=1S/C15H31N/c1-4-7-8-9-10-11-12-13-16-14-15(5-2)6-3/h5,15-16H,2,4,6-14H2,1,3H3/t15-/m1/s1
InChIKeyCMTHQTSNUXUUDP-OAHLLOKOSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(2R,3R)-1-(hexadecylamino)pent-4-ene-2,3-diol
CID 127036661
2-(butylaminomethyl)butanal
CID 88538291
N-prop-2-enyltridecan-1-amine
CID 22467882
(3R)-3-ethyloct-1-ene
CID 50898077
1-(octadecylamino)butan-2-ol
CID 174541083
2-(hexadecylamino)ethane-1,1-diol
CID 87604065
2-(pentacosylamino)ethane-1,1-diol
CID 87068456
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine?
The IUPAC name of N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine (CID 11031535) is N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine.
What is the SMILES notation for N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine?
The canonical SMILES for N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine is C=C[C@H](CC)CNCCCCCCCCC.
What is the InChIKey of N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine?
The InChIKey is CMTHQTSNUXUUDP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H31N/c1-4-7-8-9-10-11-12-13-16-14-15(5-2)6-3/h5,15-16H,2,4,6-14H2,1,3H3/t15-/m1/s1.
What are the key properties of N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine?
N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.54, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine is sourced from PubChem (CID 11031535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).