N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine

C10H23ClN2 — CID 106153170

IUPACN-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine
SMILESCC(CCl)CCCNCCN(C)C
InChIInChI=1S/C10H23ClN2/c1-10(9-11)5-4-6-12-7-8-13(2)3/h10,12H,4-9H2,1-3H3
InChIKeyDUBAKUHDDVFETA-UHFFFAOYSA-N
MW206.76 g/mol
LogP1.79
Rot. Bonds8

About N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine

N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 106153170) has the molecular formula C10H23ClN2 and a molecular weight of 206.76 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID106153170
Molecular FormulaC10H23ClN2
Molecular Weight206.76 g/mol
Exact Mass206.15
IUPAC NameN-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine
SMILESCC(CCl)CCCNCCN(C)C
InChIInChI=1S/C10H23ClN2/c1-10(9-11)5-4-6-12-7-8-13(2)3/h10,12H,4-9H2,1-3H3
InChIKeyDUBAKUHDDVFETA-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.76
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-methyl-N-prop-2-enylpentan-1-amine
CID 106153268
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 63727214
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine
CID 103285767
N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 65025453
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N',N'-dimethyl-N-(8-octyloctadecyl)ethane-1,2-diamine
CID 174256295
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine
CID 87932680

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine (CID 106153170) is N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine is CC(CCl)CCCNCCN(C)C.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is DUBAKUHDDVFETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClN2/c1-10(9-11)5-4-6-12-7-8-13(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine?
N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 206.76 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 106153170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).