1,5-dichloro-3-(methoxymethyl)pentan-3-amine

C7H15Cl2NO — CID 87883260

IUPAC1,5-dichloro-3-(methoxymethyl)pentan-3-amine
SMILESCOCC(N)(CCCl)CCCl
InChIInChI=1S/C7H15Cl2NO/c1-11-6-7(10,2-4-8)3-5-9/h2-6,10H2,1H3
InChIKeyMEVLILSPXKZOJZ-UHFFFAOYSA-N
MW200.11 g/mol
LogP1.59
Rot. Bonds6

About 1,5-dichloro-3-(methoxymethyl)pentan-3-amine

1,5-dichloro-3-(methoxymethyl)pentan-3-amine (PubChem CID 87883260) has the molecular formula C7H15Cl2NO and a molecular weight of 200.11 g/mol. Its IUPAC name is 1,5-dichloro-3-(methoxymethyl)pentan-3-amine.

Molecular Properties

Compound Name1,5-dichloro-3-(methoxymethyl)pentan-3-amine
PubChem CID87883260
Molecular FormulaC7H15Cl2NO
Molecular Weight200.11 g/mol
Exact Mass199.05
IUPAC Name1,5-dichloro-3-(methoxymethyl)pentan-3-amine
SMILESCOCC(N)(CCCl)CCCl
InChIInChI=1S/C7H15Cl2NO/c1-11-6-7(10,2-4-8)3-5-9/h2-6,10H2,1H3
InChIKeyMEVLILSPXKZOJZ-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-dichloro-3-ethylpentan-3-amine;hydrochloride
CID 175971568
5-chloro-1-methoxy-2,2-dimethylpentane
CID 165443489
1,6-dichloro-3-(2-chloroethyl)hexan-3-amine
CID 87494184
1,1,2-trimethoxyethanamine
CID 54365567
1,2-dichloro-3-methoxy-2-(methoxymethyl)propane
CID 19985339
2,2-dichloro-1,3-dimethoxypropane
CID 19985363
3-amino-3-(methoxymethyl)pentanoic acid
CID 64665153
1-methoxy-2,2-dimethylpentane
CID 57120820
(2R)-3-methoxy-2-methylpropane-1,2-diamine
CID 94474940
2-chloro-1,3-dimethoxy-2-methylpropane
CID 10986447
(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine
CID 95566847
1-chloro-2,3-dimethoxy-2-methylpropane
CID 121288257

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-(methoxymethyl)pentan-3-amine?
The IUPAC name of 1,5-dichloro-3-(methoxymethyl)pentan-3-amine (CID 87883260) is 1,5-dichloro-3-(methoxymethyl)pentan-3-amine.
What is the SMILES notation for 1,5-dichloro-3-(methoxymethyl)pentan-3-amine?
The canonical SMILES for 1,5-dichloro-3-(methoxymethyl)pentan-3-amine is COCC(N)(CCCl)CCCl.
What is the InChIKey of 1,5-dichloro-3-(methoxymethyl)pentan-3-amine?
The InChIKey is MEVLILSPXKZOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl2NO/c1-11-6-7(10,2-4-8)3-5-9/h2-6,10H2,1H3.
What are the key properties of 1,5-dichloro-3-(methoxymethyl)pentan-3-amine?
1,5-dichloro-3-(methoxymethyl)pentan-3-amine has a molecular weight of 200.11 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-(methoxymethyl)pentan-3-amine is sourced from PubChem (CID 87883260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).