N,N-dibutylpentan-2-amine;hydrate

C13H31NO — CID 172857272

IUPACN,N-dibutylpentan-2-amine;hydrate
SMILESCCCCN(CCCC)C(C)CCC.O
InChIInChI=1S/C13H29N.H2O/c1-5-8-11-14(12-9-6-2)13(4)10-7-3;/h13H,5-12H2,1-4H3;1H2
InChIKeyYWNYLBOMUPRSPV-UHFFFAOYSA-N
MW217.40 g/mol
LogP3.25
Rot. Bonds9

About N,N-dibutylpentan-2-amine;hydrate

N,N-dibutylpentan-2-amine;hydrate (PubChem CID 172857272) has the molecular formula C13H31NO and a molecular weight of 217.40 g/mol. Its IUPAC name is N,N-dibutylpentan-2-amine;hydrate.

Molecular Properties

Compound NameN,N-dibutylpentan-2-amine;hydrate
PubChem CID172857272
Molecular FormulaC13H31NO
Molecular Weight217.40 g/mol
Exact Mass217.24
IUPAC NameN,N-dibutylpentan-2-amine;hydrate
SMILESCCCCN(CCCC)C(C)CCC.O
InChIInChI=1S/C13H29N.H2O/c1-5-8-11-14(12-9-6-2)13(4)10-7-3;/h13H,5-12H2,1-4H3;1H2
InChIKeyYWNYLBOMUPRSPV-UHFFFAOYSA-N
XLogP3.25
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N,N-dibutylhexan-2-amine
CID 124633708
2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol
CID 107886008
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-(dibutylamino)butan-1-ol
CID 19802147
N-(3-bromopropyl)-N-ethylpentan-2-amine
CID 107887563
1-N',1-N'-dibutylethane-1,1-diamine
CID 22600656
4-N,4-N-dibutylpentane-2,4-diamine
CID 64708414
N,N-dibutyltridecan-4-amine
CID 139649762
2-N,2-N-dibutylpentane-1,2-diamine
CID 43125906
1-butyl-2-methyl-1-pentan-2-ylhydrazine
CID 142110512

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylpentan-2-amine;hydrate?
The IUPAC name of N,N-dibutylpentan-2-amine;hydrate (CID 172857272) is N,N-dibutylpentan-2-amine;hydrate.
What is the SMILES notation for N,N-dibutylpentan-2-amine;hydrate?
The canonical SMILES for N,N-dibutylpentan-2-amine;hydrate is CCCCN(CCCC)C(C)CCC.O.
What is the InChIKey of N,N-dibutylpentan-2-amine;hydrate?
The InChIKey is YWNYLBOMUPRSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N.H2O/c1-5-8-11-14(12-9-6-2)13(4)10-7-3;/h13H,5-12H2,1-4H3;1H2.
What are the key properties of N,N-dibutylpentan-2-amine;hydrate?
N,N-dibutylpentan-2-amine;hydrate has a molecular weight of 217.40 g/mol, XLogP of 3.25, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylpentan-2-amine;hydrate is sourced from PubChem (CID 172857272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).