ethane;2-ethyl-N,N-dipropylbutan-1-amine

C16H39N — CID 145001247

IUPACethane;2-ethyl-N,N-dipropylbutan-1-amine
SMILESCC.CC.CCCN(CCC)CC(CC)CC
InChIInChI=1S/C12H27N.2C2H6/c1-5-9-13(10-6-2)11-12(7-3)8-4;2*1-2/h12H,5-11H2,1-4H3;2*1-2H3
InChIKeyPFMRIIQPDQIBEC-UHFFFAOYSA-N
MW245.49 g/mol
LogP5.60
Rot. Bonds8

About ethane;2-ethyl-N,N-dipropylbutan-1-amine

ethane;2-ethyl-N,N-dipropylbutan-1-amine (PubChem CID 145001247) has the molecular formula C16H39N and a molecular weight of 245.49 g/mol. Its IUPAC name is ethane;2-ethyl-N,N-dipropylbutan-1-amine.

Molecular Properties

Compound Nameethane;2-ethyl-N,N-dipropylbutan-1-amine
PubChem CID145001247
Molecular FormulaC16H39N
Molecular Weight245.49 g/mol
Exact Mass245.31
IUPAC Nameethane;2-ethyl-N,N-dipropylbutan-1-amine
SMILESCC.CC.CCCN(CCC)CC(CC)CC
InChIInChI=1S/C12H27N.2C2H6/c1-5-9-13(10-6-2)11-12(7-3)8-4;2*1-2/h12H,5-11H2,1-4H3;2*1-2H3
InChIKeyPFMRIIQPDQIBEC-UHFFFAOYSA-N
XLogP5.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.49
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(bromomethyl)butyl-propylamino]ethanol
CID 65000871
N',N',2-tripropylpropane-1,3-diamine
CID 65228607
methyl 2-[2-ethylbutyl(propyl)amino]acetate
CID 78978764
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine
CID 130848534
N'-(2-ethylbutyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 82928107
3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine
CID 145192300
1-N,1-N-dipropylpentane-1,2-diamine
CID 43650406
1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine
CID 91186850
N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65010680
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
Tripropylamineborane
CID 21315686

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-N,N-dipropylbutan-1-amine?
The IUPAC name of ethane;2-ethyl-N,N-dipropylbutan-1-amine (CID 145001247) is ethane;2-ethyl-N,N-dipropylbutan-1-amine.
What is the SMILES notation for ethane;2-ethyl-N,N-dipropylbutan-1-amine?
The canonical SMILES for ethane;2-ethyl-N,N-dipropylbutan-1-amine is CC.CC.CCCN(CCC)CC(CC)CC.
What is the InChIKey of ethane;2-ethyl-N,N-dipropylbutan-1-amine?
The InChIKey is PFMRIIQPDQIBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.2C2H6/c1-5-9-13(10-6-2)11-12(7-3)8-4;2*1-2/h12H,5-11H2,1-4H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-N,N-dipropylbutan-1-amine?
ethane;2-ethyl-N,N-dipropylbutan-1-amine has a molecular weight of 245.49 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-N,N-dipropylbutan-1-amine is sourced from PubChem (CID 145001247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).