N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

C10H22ClN — CID 61378109

IUPACN-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(CCCl)CC(C)C
InChIInChI=1S/C10H22ClN/c1-9(2)7-12(6-5-11)8-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyRXSFYJAXRSVQRN-UHFFFAOYSA-N
MW191.75 g/mol
LogP2.84
Rot. Bonds6

About N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 61378109) has the molecular formula C10H22ClN and a molecular weight of 191.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID61378109
Molecular FormulaC10H22ClN
Molecular Weight191.75 g/mol
Exact Mass191.14
IUPAC NameN-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(CCCl)CC(C)C
InChIInChI=1S/C10H22ClN/c1-9(2)7-12(6-5-11)8-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyRXSFYJAXRSVQRN-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.75
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 61378109) is N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is CC(C)CN(CCCl)CC(C)C.
What is the InChIKey of N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is RXSFYJAXRSVQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClN/c1-9(2)7-12(6-5-11)8-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 191.75 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 61378109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).