N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine

C12H26N2 — CID 123198751

IUPACN',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine
SMILESC=C(CCC)CC(C)CNCN(C)C
InChIInChI=1S/C12H26N2/c1-6-7-11(2)8-12(3)9-13-10-14(4)5/h12-13H,2,6-10H2,1,3-5H3
InChIKeyFBRWDRVESKOXNK-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.48
Rot. Bonds8

About N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine

N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine (PubChem CID 123198751) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine
PubChem CID123198751
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine
SMILESC=C(CCC)CC(C)CNCN(C)C
InChIInChI=1S/C12H26N2/c1-6-7-11(2)8-12(3)9-13-10-14(4)5/h12-13H,2,6-10H2,1,3-5H3
InChIKeyFBRWDRVESKOXNK-UHFFFAOYSA-N
XLogP2.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine?
The IUPAC name of N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine (CID 123198751) is N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine?
The canonical SMILES for N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine is C=C(CCC)CC(C)CNCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine?
The InChIKey is FBRWDRVESKOXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-7-11(2)8-12(3)9-13-10-14(4)5/h12-13H,2,6-10H2,1,3-5H3.
What are the key properties of N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine?
N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine has a molecular weight of 198.35 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine is sourced from PubChem (CID 123198751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).