N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride

C11H26ClN — CID 173040344

IUPACN-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
SMILESCCCCN(CCCC)C(C)C.Cl
InChIInChI=1S/C11H25N.ClH/c1-5-7-9-12(11(3)4)10-8-6-2;/h11H,5-10H2,1-4H3;1H
InChIKeyPQTGICLIIWBVKT-UHFFFAOYSA-N
MW207.79 g/mol
LogP3.72
Rot. Bonds7

About N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride

N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride (PubChem CID 173040344) has the molecular formula C11H26ClN and a molecular weight of 207.79 g/mol. Its IUPAC name is N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
PubChem CID173040344
Molecular FormulaC11H26ClN
Molecular Weight207.79 g/mol
Exact Mass207.18
IUPAC NameN-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
SMILESCCCCN(CCCC)C(C)C.Cl
InChIInChI=1S/C11H25N.ClH/c1-5-7-9-12(11(3)4)10-8-6-2;/h11H,5-10H2,1-4H3;1H
InChIKeyPQTGICLIIWBVKT-UHFFFAOYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.79
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302
(2S)-N,N-dibutylhexan-2-amine
CID 124633708
1-N',1-N'-dibutylethane-1,1-diamine
CID 22600656
[butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium
CID 176693510
N-(cyclopropylmethyl)-N-propan-2-ylbutan-1-amine
CID 170060972
5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 55208074
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
N,N-dibutylpentan-2-amine;hydrate
CID 172857272
3-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
CID 64681832

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride?
The IUPAC name of N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride (CID 173040344) is N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride.
What is the SMILES notation for N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride?
The canonical SMILES for N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride is CCCCN(CCCC)C(C)C.Cl.
What is the InChIKey of N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride?
The InChIKey is PQTGICLIIWBVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.ClH/c1-5-7-9-12(11(3)4)10-8-6-2;/h11H,5-10H2,1-4H3;1H.
What are the key properties of N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride?
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride has a molecular weight of 207.79 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride is sourced from PubChem (CID 173040344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).