3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine

C13H22N2 — CID 174001735

IUPAC3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine
SMILES[H]/N=C/C(C)=C(N)[C@@]1(C)C(C)C=CC[C@@H]1C
InChIInChI=1S/C13H22N2/c1-9(8-14)12(15)13(4)10(2)6-5-7-11(13)3/h5-6,8,10-11,14H,7,15H2,1-4H3/b12-9?,14-8+/t10?,11-,13-/m0/s1
InChIKeyJQHLRLHDBCKAKV-FIDRVLMCSA-N
MW206.33 g/mol
LogP3.11
Rot. Bonds2

About 3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine

3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine (PubChem CID 174001735) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine
PubChem CID174001735
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine
SMILES[H]/N=C/C(C)=C(N)[C@@]1(C)C(C)C=CC[C@@H]1C
InChIInChI=1S/C13H22N2/c1-9(8-14)12(15)13(4)10(2)6-5-7-11(13)3/h5-6,8,10-11,14H,7,15H2,1-4H3/b12-9?,14-8+/t10?,11-,13-/m0/s1
InChIKeyJQHLRLHDBCKAKV-FIDRVLMCSA-N
XLogP3.11
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine?
The IUPAC name of 3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine (CID 174001735) is 3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine.
What is the SMILES notation for 3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine?
The canonical SMILES for 3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine is [H]/N=C/C(C)=C(N)[C@@]1(C)C(C)C=CC[C@@H]1C.
What is the InChIKey of 3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine?
The InChIKey is JQHLRLHDBCKAKV-FIDRVLMCSA-N. The full InChI is InChI=1S/C13H22N2/c1-9(8-14)12(15)13(4)10(2)6-5-7-11(13)3/h5-6,8,10-11,14H,7,15H2,1-4H3/b12-9?,14-8+/t10?,11-,13-/m0/s1.
What are the key properties of 3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine?
3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine has a molecular weight of 206.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2-methyl-1-[(1R,6S)-1,2,6-trimethylcyclohex-3-en-1-yl]prop-1-en-1-amine is sourced from PubChem (CID 174001735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).