N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine

C9H18ClN — CID 115756913

IUPACN-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine
SMILESC=C(Cl)CNCC(CC)CC
InChIInChI=1S/C9H18ClN/c1-4-9(5-2)7-11-6-8(3)10/h9,11H,3-7H2,1-2H3
InChIKeyXFAHWELDIKUQAM-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.76
Rot. Bonds6

About N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine

N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine (PubChem CID 115756913) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine
PubChem CID115756913
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC NameN-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine
SMILESC=C(Cl)CNCC(CC)CC
InChIInChI=1S/C9H18ClN/c1-4-9(5-2)7-11-6-8(3)10/h9,11H,3-7H2,1-2H3
InChIKeyXFAHWELDIKUQAM-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine
CID 64568928
N,2-diethylbutan-1-amine;hydrochloride
CID 171379469
1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one
CID 163735301
N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine
CID 114472547
2-(2-ethylbutylamino)-1-piperidin-1-ylethanone
CID 115756524
N-(4-chlorophenyl)-2-(2-ethylbutylamino)acetamide
CID 115592340
tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate
CID 130774480
N'-(2-ethylbutyl)ethane-1,2-diamine
CID 59135539
N-(2-chloroprop-2-enyl)-7-methyloctan-1-amine
CID 103604981
3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol
CID 115592465
N-(cyclopentylmethyl)-2-ethylbutan-1-amine
CID 43317342
6-(2-chloroprop-2-enylcarbamoylamino)-4-ethylhexanoic acid
CID 113464801

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine (CID 115756913) is N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine is C=C(Cl)CNCC(CC)CC.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine?
The InChIKey is XFAHWELDIKUQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN/c1-4-9(5-2)7-11-6-8(3)10/h9,11H,3-7H2,1-2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine?
N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine has a molecular weight of 175.70 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine is sourced from PubChem (CID 115756913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).