N-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine

C9H18ClNO — CID 106437795

IUPACN-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine
SMILESCCC(COC)NCC(C)=CCl
InChIInChI=1S/C9H18ClNO/c1-4-9(7-12-3)11-6-8(2)5-10/h5,9,11H,4,6-7H2,1-3H3
InChIKeyOLQXLNCTFCVCNX-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.14
Rot. Bonds6

About N-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine

N-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine (PubChem CID 106437795) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine
PubChem CID106437795
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine
SMILESCCC(COC)NCC(C)=CCl
InChIInChI=1S/C9H18ClNO/c1-4-9(7-12-3)11-6-8(2)5-10/h5,9,11H,4,6-7H2,1-3H3
InChIKeyOLQXLNCTFCVCNX-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine (CID 106437795) is N-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine is CCC(COC)NCC(C)=CCl.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine?
The InChIKey is OLQXLNCTFCVCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-4-9(7-12-3)11-6-8(2)5-10/h5,9,11H,4,6-7H2,1-3H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine?
N-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine has a molecular weight of 191.70 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylprop-2-enyl)-1-methoxybutan-2-amine is sourced from PubChem (CID 106437795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).