N-(2-chloroprop-2-enyl)hexan-2-amine

C9H18ClN — CID 62198931

IUPACN-(2-chloroprop-2-enyl)hexan-2-amine
SMILESC=C(Cl)CNC(C)CCCC
InChIInChI=1S/C9H18ClN/c1-4-5-6-9(3)11-7-8(2)10/h9,11H,2,4-7H2,1,3H3
InChIKeyVMSLYYSPIGIPQF-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.91
Rot. Bonds6

About N-(2-chloroprop-2-enyl)hexan-2-amine

N-(2-chloroprop-2-enyl)hexan-2-amine (PubChem CID 62198931) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)hexan-2-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)hexan-2-amine
PubChem CID62198931
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC NameN-(2-chloroprop-2-enyl)hexan-2-amine
SMILESC=C(Cl)CNC(C)CCCC
InChIInChI=1S/C9H18ClN/c1-4-5-6-9(3)11-7-8(2)10/h9,11H,2,4-7H2,1,3H3
InChIKeyVMSLYYSPIGIPQF-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloroprop-2-enylamino)butan-1-ol
CID 83176226
N-(3-methylbut-3-enyl)hexan-2-amine
CID 114472228
N-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine
CID 115901350
N-(2,3-dichloroprop-2-enyl)heptan-2-amine
CID 79167735
N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine
CID 142109813
1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
CID 60689920
2-(hexan-2-ylamino)-N-prop-2-enylacetamide
CID 115923519
N-hexadecan-2-ylhydroxylamine
CID 54390562
butyl 2-(hexan-2-ylamino)acetate
CID 62198750
N-(2-bromoprop-2-enyl)pentan-2-amine
CID 60871650
N-hexan-2-ylacetamide;methane
CID 161054772
(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
CID 134386655

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)hexan-2-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)hexan-2-amine (CID 62198931) is N-(2-chloroprop-2-enyl)hexan-2-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)hexan-2-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)hexan-2-amine is C=C(Cl)CNC(C)CCCC.
What is the InChIKey of N-(2-chloroprop-2-enyl)hexan-2-amine?
The InChIKey is VMSLYYSPIGIPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN/c1-4-5-6-9(3)11-7-8(2)10/h9,11H,2,4-7H2,1,3H3.
What are the key properties of N-(2-chloroprop-2-enyl)hexan-2-amine?
N-(2-chloroprop-2-enyl)hexan-2-amine has a molecular weight of 175.70 g/mol, XLogP of 2.91, 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)hexan-2-amine is sourced from PubChem (CID 62198931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).