N',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine

C15H32N2 — CID 129302701

IUPACN',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine
SMILESCCC[C@@H](C)C(C)=CC(NCN(C)C)C(C)C
InChIInChI=1S/C15H32N2/c1-8-9-13(4)14(5)10-15(12(2)3)16-11-17(6)7/h10,12-13,15-16H,8-9,11H2,1-7H3/t13-,15?/m1/s1
InChIKeyLIEKMOIJIIQEKL-AFYYWNPRSA-N
MW240.43 g/mol
LogP3.50
Rot. Bonds8

About N',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine

N',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine (PubChem CID 129302701) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine
PubChem CID129302701
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine
SMILESCCC[C@@H](C)C(C)=CC(NCN(C)C)C(C)C
InChIInChI=1S/C15H32N2/c1-8-9-13(4)14(5)10-15(12(2)3)16-11-17(6)7/h10,12-13,15-16H,8-9,11H2,1-7H3/t13-,15?/m1/s1
InChIKeyLIEKMOIJIIQEKL-AFYYWNPRSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.50
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-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine?
The IUPAC name of N',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine (CID 129302701) is N',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine.
What is the SMILES notation for N',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine?
The canonical SMILES for N',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine is CCC[C@@H](C)C(C)=CC(NCN(C)C)C(C)C.
What is the InChIKey of N',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine?
The InChIKey is LIEKMOIJIIQEKL-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H32N2/c1-8-9-13(4)14(5)10-15(12(2)3)16-11-17(6)7/h10,12-13,15-16H,8-9,11H2,1-7H3/t13-,15?/m1/s1.
What are the key properties of N',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine?
N',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine has a molecular weight of 240.43 g/mol, XLogP of 3.50, 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-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine is sourced from PubChem (CID 129302701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).