N-butyl-5-chloro-N-methylpentan-1-amine

C10H22ClN — CID 61287321

IUPACN-butyl-5-chloro-N-methylpentan-1-amine
SMILESCCCCN(C)CCCCCCl
InChIInChI=1S/C10H22ClN/c1-3-4-9-12(2)10-7-5-6-8-11/h3-10H2,1-2H3
InChIKeyCGMOAOWVDXWPNO-UHFFFAOYSA-N
MW191.75 g/mol
LogP3.13
Rot. Bonds8

About N-butyl-5-chloro-N-methylpentan-1-amine

N-butyl-5-chloro-N-methylpentan-1-amine (PubChem CID 61287321) has the molecular formula C10H22ClN and a molecular weight of 191.75 g/mol. Its IUPAC name is N-butyl-5-chloro-N-methylpentan-1-amine.

Molecular Properties

Compound NameN-butyl-5-chloro-N-methylpentan-1-amine
PubChem CID61287321
Molecular FormulaC10H22ClN
Molecular Weight191.75 g/mol
Exact Mass191.14
IUPAC NameN-butyl-5-chloro-N-methylpentan-1-amine
SMILESCCCCN(C)CCCCCCl
InChIInChI=1S/C10H22ClN/c1-3-4-9-12(2)10-7-5-6-8-11/h3-10H2,1-2H3
InChIKeyCGMOAOWVDXWPNO-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.75
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258
N-butyl-N-methylpentan-1-amine
CID 54060013
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-chloro-N-methylpentan-1-amine?
The IUPAC name of N-butyl-5-chloro-N-methylpentan-1-amine (CID 61287321) is N-butyl-5-chloro-N-methylpentan-1-amine.
What is the SMILES notation for N-butyl-5-chloro-N-methylpentan-1-amine?
The canonical SMILES for N-butyl-5-chloro-N-methylpentan-1-amine is CCCCN(C)CCCCCCl.
What is the InChIKey of N-butyl-5-chloro-N-methylpentan-1-amine?
The InChIKey is CGMOAOWVDXWPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClN/c1-3-4-9-12(2)10-7-5-6-8-11/h3-10H2,1-2H3.
What are the key properties of N-butyl-5-chloro-N-methylpentan-1-amine?
N-butyl-5-chloro-N-methylpentan-1-amine has a molecular weight of 191.75 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloro-N-methylpentan-1-amine is sourced from PubChem (CID 61287321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).