(1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine

C14H23N — CID 130179379

IUPAC(1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine
SMILESCC(C)=CC1=C(C)/C(=C/N(C)C)CCC1
InChIInChI=1S/C14H23N/c1-11(2)9-13-7-6-8-14(12(13)3)10-15(4)5/h9-10H,6-8H2,1-5H3/b14-10+
InChIKeyKOCXZLMSBQNLKQ-GXDHUFHOSA-N
MW205.34 g/mol
LogP3.90
Rot. Bonds2

About (1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine

(1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine (PubChem CID 130179379) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine.

Molecular Properties

Compound Name(1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine
PubChem CID130179379
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine
SMILESCC(C)=CC1=C(C)/C(=C/N(C)C)CCC1
InChIInChI=1S/C14H23N/c1-11(2)9-13-7-6-8-14(12(13)3)10-15(4)5/h9-10H,6-8H2,1-5H3/b14-10+
InChIKeyKOCXZLMSBQNLKQ-GXDHUFHOSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine?
The IUPAC name of (1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine (CID 130179379) is (1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine.
What is the SMILES notation for (1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine?
The canonical SMILES for (1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine is CC(C)=CC1=C(C)/C(=C/N(C)C)CCC1.
What is the InChIKey of (1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine?
The InChIKey is KOCXZLMSBQNLKQ-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H23N/c1-11(2)9-13-7-6-8-14(12(13)3)10-15(4)5/h9-10H,6-8H2,1-5H3/b14-10+.
What are the key properties of (1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine?
(1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine has a molecular weight of 205.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine is sourced from PubChem (CID 130179379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).