8-methyl-N-propylnon-8-en-1-amine

C13H27N — CID 138599525

IUPAC8-methyl-N-propylnon-8-en-1-amine
SMILESC=C(C)CCCCCCCNCCC
InChIInChI=1S/C13H27N/c1-4-11-14-12-9-7-5-6-8-10-13(2)3/h14H,2,4-12H2,1,3H3
InChIKeyNRAJGYPGEPCSBV-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.90
Rot. Bonds10

About 8-methyl-N-propylnon-8-en-1-amine

8-methyl-N-propylnon-8-en-1-amine (PubChem CID 138599525) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 8-methyl-N-propylnon-8-en-1-amine.

Molecular Properties

Compound Name8-methyl-N-propylnon-8-en-1-amine
PubChem CID138599525
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name8-methyl-N-propylnon-8-en-1-amine
SMILESC=C(C)CCCCCCCNCCC
InChIInChI=1S/C13H27N/c1-4-11-14-12-9-7-5-6-8-10-13(2)3/h14H,2,4-12H2,1,3H3
InChIKeyNRAJGYPGEPCSBV-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbut-3-enyl)hexan-1-amine
CID 114472319
5-methylidene-N-propylheptan-1-amine
CID 66039759
2-methyltetradec-1-ene
CID 521375
8-methylidene-N-octyloctadecan-1-amine
CID 153397444
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
2,14-dimethylpentadeca-1,14-diene
CID 123962057
N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine
CID 134334707
ethane;2-methyloct-1-ene
CID 143077596
2-methylidene-6-(propylamino)hexanoic acid
CID 22266622
N-propylhexadecan-1-amine
CID 18792182
2,20-dimethylhenicosa-1,20-diene;ethane;propane
CID 156639867
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-propylnon-8-en-1-amine?
The IUPAC name of 8-methyl-N-propylnon-8-en-1-amine (CID 138599525) is 8-methyl-N-propylnon-8-en-1-amine.
What is the SMILES notation for 8-methyl-N-propylnon-8-en-1-amine?
The canonical SMILES for 8-methyl-N-propylnon-8-en-1-amine is C=C(C)CCCCCCCNCCC.
What is the InChIKey of 8-methyl-N-propylnon-8-en-1-amine?
The InChIKey is NRAJGYPGEPCSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-11-14-12-9-7-5-6-8-10-13(2)3/h14H,2,4-12H2,1,3H3.
What are the key properties of 8-methyl-N-propylnon-8-en-1-amine?
8-methyl-N-propylnon-8-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-propylnon-8-en-1-amine is sourced from PubChem (CID 138599525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).