3-ethyl-N-methylnonan-4-amine

C12H27N — CID 115837459

IUPAC3-ethyl-N-methylnonan-4-amine
SMILESCCCCCC(NC)C(CC)CC
InChIInChI=1S/C12H27N/c1-5-8-9-10-12(13-4)11(6-2)7-3/h11-13H,5-10H2,1-4H3
InChIKeyMOVVDTLTRUXXHQ-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds8

About 3-ethyl-N-methylnonan-4-amine

3-ethyl-N-methylnonan-4-amine (PubChem CID 115837459) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 3-ethyl-N-methylnonan-4-amine.

Molecular Properties

Compound Name3-ethyl-N-methylnonan-4-amine
PubChem CID115837459
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name3-ethyl-N-methylnonan-4-amine
SMILESCCCCCC(NC)C(CC)CC
InChIInChI=1S/C12H27N/c1-5-8-9-10-12(13-4)11(6-2)7-3/h11-13H,5-10H2,1-4H3
InChIKeyMOVVDTLTRUXXHQ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.59
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

7-ethyl-N,2-dimethylundecan-6-amine
CID 105028702
3-(methylamino)octan-2-ol
CID 166770320
4-ethyl-N-methylhexan-3-amine
CID 79307570
4-ethyl-N-methyl-1-propoxyhexan-3-amine
CID 105168465
1,1-diethoxy-N-methylundecan-2-amine
CID 79495971
1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine
CID 103311819
9,10-diethyloctadecane
CID 530164
4-methoxy-N-methyldecan-5-amine
CID 116718740
N,5-diethylpentadecan-6-amine
CID 115831438
2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine
CID 116960751
5,6-diethyldodecane
CID 90761715
19-heptadecan-3-ylnonatriacontane
CID 57212477

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methylnonan-4-amine?
The IUPAC name of 3-ethyl-N-methylnonan-4-amine (CID 115837459) is 3-ethyl-N-methylnonan-4-amine.
What is the SMILES notation for 3-ethyl-N-methylnonan-4-amine?
The canonical SMILES for 3-ethyl-N-methylnonan-4-amine is CCCCCC(NC)C(CC)CC.
What is the InChIKey of 3-ethyl-N-methylnonan-4-amine?
The InChIKey is MOVVDTLTRUXXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-5-8-9-10-12(13-4)11(6-2)7-3/h11-13H,5-10H2,1-4H3.
What are the key properties of 3-ethyl-N-methylnonan-4-amine?
3-ethyl-N-methylnonan-4-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methylnonan-4-amine is sourced from PubChem (CID 115837459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).