(2S)-N,N-dibutyl-2-ethylhexan-1-amine

C16H35N — CID 40541425

IUPAC(2S)-N,N-dibutyl-2-ethylhexan-1-amine
SMILESCCCC[C@H](CC)CN(CCCC)CCCC
InChIInChI=1S/C16H35N/c1-5-9-12-16(8-4)15-17(13-10-6-2)14-11-7-3/h16H,5-15H2,1-4H3/t16-/m0/s1
InChIKeyHVKQOPBXSVRTFF-INIZCTEOSA-N
MW241.46 g/mol
LogP5.11
Rot. Bonds12

About (2S)-N,N-dibutyl-2-ethylhexan-1-amine

(2S)-N,N-dibutyl-2-ethylhexan-1-amine (PubChem CID 40541425) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is (2S)-N,N-dibutyl-2-ethylhexan-1-amine.

Molecular Properties

Compound Name(2S)-N,N-dibutyl-2-ethylhexan-1-amine
PubChem CID40541425
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name(2S)-N,N-dibutyl-2-ethylhexan-1-amine
SMILESCCCC[C@H](CC)CN(CCCC)CCCC
InChIInChI=1S/C16H35N/c1-5-9-12-16(8-4)15-17(13-10-6-2)14-11-7-3/h16H,5-15H2,1-4H3/t16-/m0/s1
InChIKeyHVKQOPBXSVRTFF-INIZCTEOSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine
CID 152619191
3-[(dibutylamino)methyl]heptane-1-thiol
CID 23362527
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
butyl 3-[butyl(2-ethylhexyl)amino]propanoate
CID 87784711
N-(2-chloroethyl)-N,2-diethylhexan-1-amine
CID 63386988
dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate
CID 142284997
N-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine
CID 150267312
2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol
CID 143083923
2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine
CID 19751114
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine
CID 134527343
2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine
CID 6425935

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dibutyl-2-ethylhexan-1-amine?
The IUPAC name of (2S)-N,N-dibutyl-2-ethylhexan-1-amine (CID 40541425) is (2S)-N,N-dibutyl-2-ethylhexan-1-amine.
What is the SMILES notation for (2S)-N,N-dibutyl-2-ethylhexan-1-amine?
The canonical SMILES for (2S)-N,N-dibutyl-2-ethylhexan-1-amine is CCCC[C@H](CC)CN(CCCC)CCCC.
What is the InChIKey of (2S)-N,N-dibutyl-2-ethylhexan-1-amine?
The InChIKey is HVKQOPBXSVRTFF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H35N/c1-5-9-12-16(8-4)15-17(13-10-6-2)14-11-7-3/h16H,5-15H2,1-4H3/t16-/m0/s1.
What are the key properties of (2S)-N,N-dibutyl-2-ethylhexan-1-amine?
(2S)-N,N-dibutyl-2-ethylhexan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.11, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dibutyl-2-ethylhexan-1-amine is sourced from PubChem (CID 40541425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).