5-methylidene-N-propylheptan-1-amine

C11H23N — CID 66039759

IUPAC5-methylidene-N-propylheptan-1-amine
SMILESC=C(CC)CCCCNCCC
InChIInChI=1S/C11H23N/c1-4-9-12-10-7-6-8-11(3)5-2/h12H,3-10H2,1-2H3
InChIKeyUFDNXTROMLLSTG-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.12
Rot. Bonds8

About 5-methylidene-N-propylheptan-1-amine

5-methylidene-N-propylheptan-1-amine (PubChem CID 66039759) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 5-methylidene-N-propylheptan-1-amine.

Molecular Properties

Compound Name5-methylidene-N-propylheptan-1-amine
PubChem CID66039759
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name5-methylidene-N-propylheptan-1-amine
SMILESC=C(CC)CCCCNCCC
InChIInChI=1S/C11H23N/c1-4-9-12-10-7-6-8-11(3)5-2/h12H,3-10H2,1-2H3
InChIKeyUFDNXTROMLLSTG-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.12
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

8-methylidene-N-octyloctadecan-1-amine
CID 153397444
8-methyl-N-propylnon-8-en-1-amine
CID 138599525
3-methylidenedecane
CID 21453024
2-methylidene-6-(propylamino)hexanoic acid
CID 22266622
3,8,15,20-tetramethylidenedocosane
CID 176610318
3,8-dimethylidenetetradecane
CID 173410299
5-(propylamino)pentanoic acid
CID 103691549
N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine
CID 134334707
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N-(4-methylidenehexyl)hept-1-en-2-amine
CID 167138556
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
N-propylhexadecan-1-amine
CID 18792182

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-N-propylheptan-1-amine?
The IUPAC name of 5-methylidene-N-propylheptan-1-amine (CID 66039759) is 5-methylidene-N-propylheptan-1-amine.
What is the SMILES notation for 5-methylidene-N-propylheptan-1-amine?
The canonical SMILES for 5-methylidene-N-propylheptan-1-amine is C=C(CC)CCCCNCCC.
What is the InChIKey of 5-methylidene-N-propylheptan-1-amine?
The InChIKey is UFDNXTROMLLSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-9-12-10-7-6-8-11(3)5-2/h12H,3-10H2,1-2H3.
What are the key properties of 5-methylidene-N-propylheptan-1-amine?
5-methylidene-N-propylheptan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-N-propylheptan-1-amine is sourced from PubChem (CID 66039759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).