N,3-dimethylundecan-5-amine

C13H29N — CID 115833416

IUPACN,3-dimethylundecan-5-amine
SMILESCCCCCCC(CC(C)CC)NC
InChIInChI=1S/C13H29N/c1-5-7-8-9-10-13(14-4)11-12(3)6-2/h12-14H,5-11H2,1-4H3
InChIKeyJNNKSTWPKJGSCZ-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds9

About N,3-dimethylundecan-5-amine

N,3-dimethylundecan-5-amine (PubChem CID 115833416) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,3-dimethylundecan-5-amine.

Molecular Properties

Compound NameN,3-dimethylundecan-5-amine
PubChem CID115833416
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,3-dimethylundecan-5-amine
SMILESCCCCCCC(CC(C)CC)NC
InChIInChI=1S/C13H29N/c1-5-7-8-9-10-13(14-4)11-12(3)6-2/h12-14H,5-11H2,1-4H3
InChIKeyJNNKSTWPKJGSCZ-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
N-methylheptadecan-9-amine;hydrochloride
CID 175813537
7-ethyl-N,3-dimethylundecan-5-amine
CID 115806113
carbanide;N-methyltridecan-3-amine;vanadium
CID 170975865
3,5-dimethylpentacosane
CID 86177199
N-methylundecan-4-amine
CID 60996531
3-methyl-N-propan-2-ylnonan-5-amine
CID 79413294
N,5-dimethyl-1-propoxyheptan-3-amine
CID 105138301
hexane;3-methylnonane
CID 173294071
(3R)-3-methyloctadecane
CID 98094048
(3R)-3-methylhexacosane
CID 134824557

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylundecan-5-amine?
The IUPAC name of N,3-dimethylundecan-5-amine (CID 115833416) is N,3-dimethylundecan-5-amine.
What is the SMILES notation for N,3-dimethylundecan-5-amine?
The canonical SMILES for N,3-dimethylundecan-5-amine is CCCCCCC(CC(C)CC)NC.
What is the InChIKey of N,3-dimethylundecan-5-amine?
The InChIKey is JNNKSTWPKJGSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-7-8-9-10-13(14-4)11-12(3)6-2/h12-14H,5-11H2,1-4H3.
What are the key properties of N,3-dimethylundecan-5-amine?
N,3-dimethylundecan-5-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylundecan-5-amine is sourced from PubChem (CID 115833416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).