N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine

C13H28ClNO — CID 106180457

IUPACN-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine
SMILESCCCCCCCCCNC(CCl)COC
InChIInChI=1S/C13H28ClNO/c1-3-4-5-6-7-8-9-10-15-13(11-14)12-16-2/h13,15H,3-12H2,1-2H3
InChIKeyZERPPZZUZMVVTG-UHFFFAOYSA-N
MW249.83 g/mol
LogP3.58
Rot. Bonds12

About N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine

N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine (PubChem CID 106180457) has the molecular formula C13H28ClNO and a molecular weight of 249.83 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine
PubChem CID106180457
Molecular FormulaC13H28ClNO
Molecular Weight249.83 g/mol
Exact Mass249.19
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine
SMILESCCCCCCCCCNC(CCl)COC
InChIInChI=1S/C13H28ClNO/c1-3-4-5-6-7-8-9-10-15-13(11-14)12-16-2/h13,15H,3-12H2,1-2H3
InChIKeyZERPPZZUZMVVTG-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.83
LogP ≤ 53.58
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

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1-chloro-3-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
CID 106180567
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
N-(1-methoxypropan-2-yl)nonan-1-amine
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1-methoxy-N-(4-methoxybutyl)hexan-2-amine
CID 115709746
1-methoxy-N-(4-methoxybutyl)pentan-2-amine
CID 104647445
N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine
CID 106180770
N-ethyl-1-methoxydecan-2-amine
CID 62320563
N-(1-chloro-3-phenylpropan-2-yl)octan-1-amine
CID 65026152
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CID 106180697

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine (CID 106180457) is N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine is CCCCCCCCCNC(CCl)COC.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine?
The InChIKey is ZERPPZZUZMVVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28ClNO/c1-3-4-5-6-7-8-9-10-15-13(11-14)12-16-2/h13,15H,3-12H2,1-2H3.
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine?
N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine has a molecular weight of 249.83 g/mol, XLogP of 3.58, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine is sourced from PubChem (CID 106180457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).