(2S)-N,N-dibutylhexan-2-amine

C14H31N — CID 124633708

IUPAC(2S)-N,N-dibutylhexan-2-amine
SMILESCCCC[C@H](C)N(CCCC)CCCC
InChIInChI=1S/C14H31N/c1-5-8-11-14(4)15(12-9-6-2)13-10-7-3/h14H,5-13H2,1-4H3/t14-/m0/s1
InChIKeyWMJSFJJSJHUGOW-AWEZNQCLSA-N
MW213.41 g/mol
LogP4.47
Rot. Bonds10

About (2S)-N,N-dibutylhexan-2-amine

(2S)-N,N-dibutylhexan-2-amine (PubChem CID 124633708) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is (2S)-N,N-dibutylhexan-2-amine.

Molecular Properties

Compound Name(2S)-N,N-dibutylhexan-2-amine
PubChem CID124633708
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name(2S)-N,N-dibutylhexan-2-amine
SMILESCCCC[C@H](C)N(CCCC)CCCC
InChIInChI=1S/C14H31N/c1-5-8-11-14(4)15(12-9-6-2)13-10-7-3/h14H,5-13H2,1-4H3/t14-/m0/s1
InChIKeyWMJSFJJSJHUGOW-AWEZNQCLSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dibutylpentan-2-amine;hydrate
CID 172857272
N-hexan-2-yl-N-hexylhexan-1-amine;trihexyl(methyl)azanium
CID 87516688
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
3-N,3-N-dibutyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 55195808
1-N',1-N'-dibutylethane-1,1-diamine
CID 22600656
4-N,4-N-dibutylpentane-2,4-diamine
CID 64708414
5-[di(tridecyl)amino]hexanoic acid
CID 101314493
N-ethyl-N-propylicosan-2-amine
CID 172693354
3-N-butyl-1-N,3-N-diethylbutane-1,3-diamine
CID 62425173
sodium 5-[di(pentadecyl)amino]hexanoate
CID 101314546
1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine
CID 62423084

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dibutylhexan-2-amine?
The IUPAC name of (2S)-N,N-dibutylhexan-2-amine (CID 124633708) is (2S)-N,N-dibutylhexan-2-amine.
What is the SMILES notation for (2S)-N,N-dibutylhexan-2-amine?
The canonical SMILES for (2S)-N,N-dibutylhexan-2-amine is CCCC[C@H](C)N(CCCC)CCCC.
What is the InChIKey of (2S)-N,N-dibutylhexan-2-amine?
The InChIKey is WMJSFJJSJHUGOW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H31N/c1-5-8-11-14(4)15(12-9-6-2)13-10-7-3/h14H,5-13H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-N,N-dibutylhexan-2-amine?
(2S)-N,N-dibutylhexan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.47, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dibutylhexan-2-amine is sourced from PubChem (CID 124633708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).