N-(3-chloro-4-methoxybutyl)cyclopentanamine

C10H20ClNO — CID 106242445

IUPACN-(3-chloro-4-methoxybutyl)cyclopentanamine
SMILESCOCC(Cl)CCNC1CCCC1
InChIInChI=1S/C10H20ClNO/c1-13-8-9(11)6-7-12-10-4-2-3-5-10/h9-10,12H,2-8H2,1H3
InChIKeyNBXNUQNZXCFNKZ-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.16
Rot. Bonds6

About N-(3-chloro-4-methoxybutyl)cyclopentanamine

N-(3-chloro-4-methoxybutyl)cyclopentanamine (PubChem CID 106242445) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)cyclopentanamine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)cyclopentanamine
PubChem CID106242445
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-(3-chloro-4-methoxybutyl)cyclopentanamine
SMILESCOCC(Cl)CCNC1CCCC1
InChIInChI=1S/C10H20ClNO/c1-13-8-9(11)6-7-12-10-4-2-3-5-10/h9-10,12H,2-8H2,1H3
InChIKeyNBXNUQNZXCFNKZ-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.16
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

N-(3-chlorobutyl)cyclopentanamine
CID 82936490
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine
CID 116500457
N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106243577
1-methoxy-4-[(4-propan-2-ylcyclohexyl)amino]butan-2-ol
CID 103876423
N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62573668
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62573665
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
CID 62448035
N-(2-methoxyethyl)-4-methylcycloheptan-1-amine
CID 65081207
1-N-cyclohexyl-3-methoxypropane-1,2-diamine
CID 81101146
N-[2-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)cyclopentanamine?
The IUPAC name of N-(3-chloro-4-methoxybutyl)cyclopentanamine (CID 106242445) is N-(3-chloro-4-methoxybutyl)cyclopentanamine.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)cyclopentanamine?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)cyclopentanamine is COCC(Cl)CCNC1CCCC1.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)cyclopentanamine?
The InChIKey is NBXNUQNZXCFNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-13-8-9(11)6-7-12-10-4-2-3-5-10/h9-10,12H,2-8H2,1H3.
What are the key properties of N-(3-chloro-4-methoxybutyl)cyclopentanamine?
N-(3-chloro-4-methoxybutyl)cyclopentanamine has a molecular weight of 205.73 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)cyclopentanamine is sourced from PubChem (CID 106242445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).