4-methylnonane;N,4,4-trimethylpent-1-en-2-amine

C18H39N — CID 142526042

IUPAC4-methylnonane;N,4,4-trimethylpent-1-en-2-amine
SMILESC=C(CC(C)(C)C)NC.CCCCCC(C)CCC
InChIInChI=1S/C10H22.C8H17N/c1-4-6-7-9-10(3)8-5-2;1-7(9-5)6-8(2,3)4/h10H,4-9H2,1-3H3;9H,1,6H2,2-5H3
InChIKeyCSXMUUPANFEHLJ-UHFFFAOYSA-N
MW269.52 g/mol
LogP6.16
Rot. Bonds8

About 4-methylnonane;N,4,4-trimethylpent-1-en-2-amine

4-methylnonane;N,4,4-trimethylpent-1-en-2-amine (PubChem CID 142526042) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is 4-methylnonane;N,4,4-trimethylpent-1-en-2-amine.

Molecular Properties

Compound Name4-methylnonane;N,4,4-trimethylpent-1-en-2-amine
PubChem CID142526042
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Name4-methylnonane;N,4,4-trimethylpent-1-en-2-amine
SMILESC=C(CC(C)(C)C)NC.CCCCCC(C)CCC
InChIInChI=1S/C10H22.C8H17N/c1-4-6-7-9-10(3)8-5-2;1-7(9-5)6-8(2,3)4/h10H,4-9H2,1-3H3;9H,1,6H2,2-5H3
InChIKeyCSXMUUPANFEHLJ-UHFFFAOYSA-N
XLogP6.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 56.16
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

(3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine
CID 178036586
4-methyltritriacontane
CID 71346224
(4R)-4-methyldecane
CID 57191620
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
4-methyloctadecane
CID 517866
(4R)-4-methylpentadecane
CID 98062361
4,10-dimethyltriacontane
CID 6430425
4,8,14-trimethyltetratriacontane
CID 6431076
2-methyloctane;4-methyloctane;nonane
CID 160563952
10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane
CID 151805682
4,13-dimethylheptadecane
CID 6430494

Frequently Asked Questions

What is the IUPAC name of 4-methylnonane;N,4,4-trimethylpent-1-en-2-amine?
The IUPAC name of 4-methylnonane;N,4,4-trimethylpent-1-en-2-amine (CID 142526042) is 4-methylnonane;N,4,4-trimethylpent-1-en-2-amine.
What is the SMILES notation for 4-methylnonane;N,4,4-trimethylpent-1-en-2-amine?
The canonical SMILES for 4-methylnonane;N,4,4-trimethylpent-1-en-2-amine is C=C(CC(C)(C)C)NC.CCCCCC(C)CCC.
What is the InChIKey of 4-methylnonane;N,4,4-trimethylpent-1-en-2-amine?
The InChIKey is CSXMUUPANFEHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C8H17N/c1-4-6-7-9-10(3)8-5-2;1-7(9-5)6-8(2,3)4/h10H,4-9H2,1-3H3;9H,1,6H2,2-5H3.
What are the key properties of 4-methylnonane;N,4,4-trimethylpent-1-en-2-amine?
4-methylnonane;N,4,4-trimethylpent-1-en-2-amine has a molecular weight of 269.52 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnonane;N,4,4-trimethylpent-1-en-2-amine is sourced from PubChem (CID 142526042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).