N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine

C14H30ClN — CID 115363470

IUPACN-(3-chloro-2,2-dimethylpropyl)nonan-1-amine
SMILESCCCCCCCCCNCC(C)(C)CCl
InChIInChI=1S/C14H30ClN/c1-4-5-6-7-8-9-10-11-16-13-14(2,3)12-15/h16H,4-13H2,1-3H3
InChIKeyAJRFLEPJMHAYBI-UHFFFAOYSA-N
MW247.85 g/mol
LogP4.59
Rot. Bonds11

About N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine

N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine (PubChem CID 115363470) has the molecular formula C14H30ClN and a molecular weight of 247.85 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)nonan-1-amine
PubChem CID115363470
Molecular FormulaC14H30ClN
Molecular Weight247.85 g/mol
Exact Mass247.21
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)nonan-1-amine
SMILESCCCCCCCCCNCC(C)(C)CCl
InChIInChI=1S/C14H30ClN/c1-4-5-6-7-8-9-10-11-16-13-14(2,3)12-15/h16H,4-13H2,1-3H3
InChIKeyAJRFLEPJMHAYBI-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.85
LogP ≤ 54.59
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

2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
2-(chloromethyl)-2-ethyl-N-heptylbutan-1-amine
CID 106252175
N'-hexyl-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28879474
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657
4-(decylamino)-3,3-dimethylbutanenitrile
CID 21082820
N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756651
N-(2,2-difluoropropyl)heptan-1-amine
CID 157402508
2-methyl-1-(octylamino)propan-2-ol
CID 65103945
ethane;N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756650
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine (CID 115363470) is N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine is CCCCCCCCCNCC(C)(C)CCl.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine?
The InChIKey is AJRFLEPJMHAYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30ClN/c1-4-5-6-7-8-9-10-11-16-13-14(2,3)12-15/h16H,4-13H2,1-3H3.
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine?
N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine has a molecular weight of 247.85 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine is sourced from PubChem (CID 115363470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).