6-chloro-N-(2-methoxypropyl)hexan-1-amine

C10H22ClNO — CID 107845800

IUPAC6-chloro-N-(2-methoxypropyl)hexan-1-amine
SMILESCOC(C)CNCCCCCCCl
InChIInChI=1S/C10H22ClNO/c1-10(13-2)9-12-8-6-4-3-5-7-11/h10,12H,3-9H2,1-2H3
InChIKeyPAHFWEKBVIJRLP-UHFFFAOYSA-N
MW207.74 g/mol
LogP2.41
Rot. Bonds9

About 6-chloro-N-(2-methoxypropyl)hexan-1-amine

6-chloro-N-(2-methoxypropyl)hexan-1-amine (PubChem CID 107845800) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxypropyl)hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxypropyl)hexan-1-amine
PubChem CID107845800
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Name6-chloro-N-(2-methoxypropyl)hexan-1-amine
SMILESCOC(C)CNCCCCCCCl
InChIInChI=1S/C10H22ClNO/c1-10(13-2)9-12-8-6-4-3-5-7-11/h10,12H,3-9H2,1-2H3
InChIKeyPAHFWEKBVIJRLP-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 52.41
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

N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
N-(2-fluoroethyl)-2-methoxypropan-1-amine
CID 102698074
5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine
CID 107319832
5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 107319913
6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine
CID 114008238
N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
CID 107319870
2-(2-methoxypropylamino)acetonitrile
CID 102697955
N-(2,2-dimethoxyethyl)dodecan-1-amine
CID 10308222
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine
CID 102698134
4-methoxy-N-pentylpentan-1-amine
CID 70456658
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine
CID 106046541

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxypropyl)hexan-1-amine?
The IUPAC name of 6-chloro-N-(2-methoxypropyl)hexan-1-amine (CID 107845800) is 6-chloro-N-(2-methoxypropyl)hexan-1-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxypropyl)hexan-1-amine?
The canonical SMILES for 6-chloro-N-(2-methoxypropyl)hexan-1-amine is COC(C)CNCCCCCCCl.
What is the InChIKey of 6-chloro-N-(2-methoxypropyl)hexan-1-amine?
The InChIKey is PAHFWEKBVIJRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO/c1-10(13-2)9-12-8-6-4-3-5-7-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 6-chloro-N-(2-methoxypropyl)hexan-1-amine?
6-chloro-N-(2-methoxypropyl)hexan-1-amine has a molecular weight of 207.74 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxypropyl)hexan-1-amine is sourced from PubChem (CID 107845800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).