3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine

C12H24N2 — CID 91097034

IUPAC3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine
SMILESC=NC(C)C(=C)CCCC(C)C(C)N
InChIInChI=1S/C12H24N2/c1-9(11(3)13)7-6-8-10(2)12(4)14-5/h9,11-12H,2,5-8,13H2,1,3-4H3
InChIKeyCDPJRZKKRWSFAN-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.79
Rot. Bonds7

About 3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine

3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine (PubChem CID 91097034) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine.

Molecular Properties

Compound Name3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine
PubChem CID91097034
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine
SMILESC=NC(C)C(=C)CCCC(C)C(C)N
InChIInChI=1S/C12H24N2/c1-9(11(3)13)7-6-8-10(2)12(4)14-5/h9,11-12H,2,5-8,13H2,1,3-4H3
InChIKeyCDPJRZKKRWSFAN-UHFFFAOYSA-N
XLogP2.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-(Fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine
CID 137400838
2,6-Dimethylhept-1-en-3-amine
CID 79189966
(6S)-6-methyl-3-methylideneoctan-2-amine
CID 89038783
6-Ethyl-3,8-dimethylnon-8-en-2-amine
CID 90942542
2,5-Dimethylhept-1-en-3-amine
CID 91099061
[1-Amino-2-ethenyl-7-(methylideneamino)octyl]-methylidyneazanium
CID 91803937
2-Methyl-4-propylhept-1-en-3-amine
CID 105005514
3,9-Dimethyl-5-methylidenedodecane-4,8-diamine
CID 123377256
7,7,9-Trimethyl-3-methylidenedecan-2-amine
CID 123470247
2,5,8-Trimethylnon-1-en-3-amine
CID 123852362
3,6,8-Trimethylnon-8-en-2-amine
CID 123867082
N-ethyl-5-methyl-7-[(methylideneamino)methylidene]decan-2-amine
CID 123938507

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine?
The IUPAC name of 3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine (CID 91097034) is 3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine.
What is the SMILES notation for 3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine?
The canonical SMILES for 3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine is C=NC(C)C(=C)CCCC(C)C(C)N.
What is the InChIKey of 3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine?
The InChIKey is CDPJRZKKRWSFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-9(11(3)13)7-6-8-10(2)12(4)14-5/h9,11-12H,2,5-8,13H2,1,3-4H3.
What are the key properties of 3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine?
3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine has a molecular weight of 196.34 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-methylidene-8-(methylideneamino)nonan-2-amine is sourced from PubChem (CID 91097034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).