N-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine

C14H29N3 — CID 163931201

IUPACN-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine
SMILESCNCNC1CC(C)C=CC1CC(C)(C)NC
InChIInChI=1S/C14H29N3/c1-11-6-7-12(9-14(2,3)16-5)13(8-11)17-10-15-4/h6-7,11-13,15-17H,8-10H2,1-5H3
InChIKeyRIUXHYPFHFLJMN-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.72
Rot. Bonds6

About N-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine

N-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine (PubChem CID 163931201) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine.

Molecular Properties

Compound NameN-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine
PubChem CID163931201
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine
SMILESCNCNC1CC(C)C=CC1CC(C)(C)NC
InChIInChI=1S/C14H29N3/c1-11-6-7-12(9-14(2,3)16-5)13(8-11)17-10-15-4/h6-7,11-13,15-17H,8-10H2,1-5H3
InChIKeyRIUXHYPFHFLJMN-UHFFFAOYSA-N
XLogP1.72
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine?
The IUPAC name of N-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine (CID 163931201) is N-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine.
What is the SMILES notation for N-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine?
The canonical SMILES for N-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine is CNCNC1CC(C)C=CC1CC(C)(C)NC.
What is the InChIKey of N-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine?
The InChIKey is RIUXHYPFHFLJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-11-6-7-12(9-14(2,3)16-5)13(8-11)17-10-15-4/h6-7,11-13,15-17H,8-10H2,1-5H3.
What are the key properties of N-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine?
N-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine has a molecular weight of 239.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[5-methyl-2-[2-methyl-2-(methylamino)propyl]cyclohex-3-en-1-yl]methanediamine is sourced from PubChem (CID 163931201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).