N-(2,3-dimethylbutyl)undecan-6-amine

C17H37N — CID 64569450

IUPACN-(2,3-dimethylbutyl)undecan-6-amine
SMILESCCCCCC(CCCCC)NCC(C)C(C)C
InChIInChI=1S/C17H37N/c1-6-8-10-12-17(13-11-9-7-2)18-14-16(5)15(3)4/h15-18H,6-14H2,1-5H3
InChIKeySHXQTDNVYJXRIL-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.40
Rot. Bonds12

About N-(2,3-dimethylbutyl)undecan-6-amine

N-(2,3-dimethylbutyl)undecan-6-amine (PubChem CID 64569450) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)undecan-6-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)undecan-6-amine
PubChem CID64569450
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC NameN-(2,3-dimethylbutyl)undecan-6-amine
SMILESCCCCCC(CCCCC)NCC(C)C(C)C
InChIInChI=1S/C17H37N/c1-6-8-10-12-17(13-11-9-7-2)18-14-16(5)15(3)4/h15-18H,6-14H2,1-5H3
InChIKeySHXQTDNVYJXRIL-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.40
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

(2R)-1-(nonadecan-10-ylamino)propan-2-ol
CID 98515290
(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
CID 134386655
N-ethyldecan-5-amine
CID 79405026
N-ethyltetradecan-7-amine
CID 87847195
2,3-dimethylnonacosane
CID 71331945
2-(2-hydroxypropylamino)octan-1-ol
CID 86053994
2-N-(2-methylpropyl)nonane-1,2-diamine
CID 65385407
2,3,14,15-tetramethylhenicosane
CID 123460288
(3S)-2,3-dimethylnonane;methane
CID 159246988
N-ethylhexadecan-4-amine
CID 63413885
2,3-dimethyl-N-pentylbutan-1-amine
CID 64570276
N-ethyl-2-methylheptadecan-6-amine
CID 105028964

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)undecan-6-amine?
The IUPAC name of N-(2,3-dimethylbutyl)undecan-6-amine (CID 64569450) is N-(2,3-dimethylbutyl)undecan-6-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)undecan-6-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)undecan-6-amine is CCCCCC(CCCCC)NCC(C)C(C)C.
What is the InChIKey of N-(2,3-dimethylbutyl)undecan-6-amine?
The InChIKey is SHXQTDNVYJXRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-6-8-10-12-17(13-11-9-7-2)18-14-16(5)15(3)4/h15-18H,6-14H2,1-5H3.
What are the key properties of N-(2,3-dimethylbutyl)undecan-6-amine?
N-(2,3-dimethylbutyl)undecan-6-amine has a molecular weight of 255.49 g/mol, XLogP of 5.40, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)undecan-6-amine is sourced from PubChem (CID 64569450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).