5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine

C12H26ClN — CID 106140823

IUPAC5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
SMILESCC(C)CCNCC(C)(C)CCCCl
InChIInChI=1S/C12H26ClN/c1-11(2)6-9-14-10-12(3,4)7-5-8-13/h11,14H,5-10H2,1-4H3
InChIKeyINLPXCOQMWNFJW-UHFFFAOYSA-N
MW219.80 g/mol
LogP3.67
Rot. Bonds8

About 5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine

5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine (PubChem CID 106140823) has the molecular formula C12H26ClN and a molecular weight of 219.80 g/mol. Its IUPAC name is 5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine.

Molecular Properties

Compound Name5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
PubChem CID106140823
Molecular FormulaC12H26ClN
Molecular Weight219.80 g/mol
Exact Mass219.18
IUPAC Name5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
SMILESCC(C)CCNCC(C)(C)CCCCl
InChIInChI=1S/C12H26ClN/c1-11(2)6-9-14-10-12(3,4)7-5-8-13/h11,14H,5-10H2,1-4H3
InChIKeyINLPXCOQMWNFJW-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
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

4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 138459549
5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine
CID 106140659
N-(3-chloropropyl)-3-methylbutan-1-amine
CID 60668752
5-chloro-N,2,2-trimethylpentan-1-amine
CID 106140604
5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine
CID 106141093
N-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide
CID 106146169
5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine
CID 106140982
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine
CID 106141180
4,4-dimethyl-5-(5-methylhexylamino)pentanenitrile
CID 115654451
N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine
CID 158014469
5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine
CID 106141095

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine?
The IUPAC name of 5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine (CID 106140823) is 5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine.
What is the SMILES notation for 5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine?
The canonical SMILES for 5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine is CC(C)CCNCC(C)(C)CCCCl.
What is the InChIKey of 5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine?
The InChIKey is INLPXCOQMWNFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClN/c1-11(2)6-9-14-10-12(3,4)7-5-8-13/h11,14H,5-10H2,1-4H3.
What are the key properties of 5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine?
5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine has a molecular weight of 219.80 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine is sourced from PubChem (CID 106140823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).