N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine

C9H18ClN — CID 107900993

IUPACN-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine
SMILESCC(C)=CCN(C)CC(C)Cl
InChIInChI=1S/C9H18ClN/c1-8(2)5-6-11(4)7-9(3)10/h5,9H,6-7H2,1-4H3
InChIKeyWUGCMXOTASMUAW-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.51
Rot. Bonds4

About N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine

N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine (PubChem CID 107900993) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine.

Molecular Properties

Compound NameN-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine
PubChem CID107900993
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC NameN-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine
SMILESCC(C)=CCN(C)CC(C)Cl
InChIInChI=1S/C9H18ClN/c1-8(2)5-6-11(4)7-9(3)10/h5,9H,6-7H2,1-4H3
InChIKeyWUGCMXOTASMUAW-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine
CID 107901221
N-(1-chloropropan-2-yl)-N,3-dimethylbut-2-en-1-amine
CID 107901189
N-(1-chloro-2-methylpropan-2-yl)-N,3-dimethylbut-2-en-1-amine
CID 107901201
2-methyl-4-[methyl(2-methylbutyl)amino]but-2-enoic acid
CID 77074395
1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol
CID 76940071
2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine
CID 63387305
2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol
CID 115638245
2-chloro-N,N-dimethylpropan-1-amine;hydron;chloride
CID 74765572
(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane
CID 145357021
N-(2-chloropropyl)-N-methyldecan-1-amine
CID 63388081
2-chloro-N,N-bis(2-chloropropyl)propan-1-amine;hydrochloride
CID 3025277
(E)-1-chloro-3,4-dimethylpent-2-ene
CID 14510616

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine?
The IUPAC name of N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine (CID 107900993) is N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine.
What is the SMILES notation for N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine?
The canonical SMILES for N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine is CC(C)=CCN(C)CC(C)Cl.
What is the InChIKey of N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine?
The InChIKey is WUGCMXOTASMUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN/c1-8(2)5-6-11(4)7-9(3)10/h5,9H,6-7H2,1-4H3.
What are the key properties of N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine?
N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine has a molecular weight of 175.70 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine is sourced from PubChem (CID 107900993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).