3-methylidene-6-propylnonan-5-amine

C13H27N — CID 105006117

IUPAC3-methylidene-6-propylnonan-5-amine
SMILESC=C(CC)CC(N)C(CCC)CCC
InChIInChI=1S/C13H27N/c1-5-8-12(9-6-2)13(14)10-11(4)7-3/h12-13H,4-10,14H2,1-3H3
InChIKeyCAGVZGXAIUMMRT-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.89
Rot. Bonds8

About 3-methylidene-6-propylnonan-5-amine

3-methylidene-6-propylnonan-5-amine (PubChem CID 105006117) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-methylidene-6-propylnonan-5-amine.

Molecular Properties

Compound Name3-methylidene-6-propylnonan-5-amine
PubChem CID105006117
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-methylidene-6-propylnonan-5-amine
SMILESC=C(CC)CC(N)C(CCC)CCC
InChIInChI=1S/C13H27N/c1-5-8-12(9-6-2)13(14)10-11(4)7-3/h12-13H,4-10,14H2,1-3H3
InChIKeyCAGVZGXAIUMMRT-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-3-methylidenenonan-5-amine
CID 116717528
2-methyl-5-methylideneheptan-3-amine
CID 66044107
3-methylidene-N,6-dipropylnonan-5-amine
CID 105005823
(2S)-2-amino-3-propylhexan-1-ol
CID 154703433
N-methyl-6-methylideneoctan-4-amine
CID 66044817
2-methoxy-5-methylideneheptan-3-amine
CID 79616919
3,6-dimethyl-4-propylhept-6-en-2-amine
CID 134183824
(2S,3R)-2-amino-3-propylbutane-1,4-diol
CID 10820698
(5R)-3-methylidenedecan-5-ol
CID 118281319
6-methylideneoct-1-en-4-amine
CID 116660413
(4R,5R)-octane-4,5-diamine
CID 13138963
3-methylidenetetradecan-5-ol
CID 115817490

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-6-propylnonan-5-amine?
The IUPAC name of 3-methylidene-6-propylnonan-5-amine (CID 105006117) is 3-methylidene-6-propylnonan-5-amine.
What is the SMILES notation for 3-methylidene-6-propylnonan-5-amine?
The canonical SMILES for 3-methylidene-6-propylnonan-5-amine is C=C(CC)CC(N)C(CCC)CCC.
What is the InChIKey of 3-methylidene-6-propylnonan-5-amine?
The InChIKey is CAGVZGXAIUMMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-8-12(9-6-2)13(14)10-11(4)7-3/h12-13H,4-10,14H2,1-3H3.
What are the key properties of 3-methylidene-6-propylnonan-5-amine?
3-methylidene-6-propylnonan-5-amine has a molecular weight of 197.37 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-6-propylnonan-5-amine is sourced from PubChem (CID 105006117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).