(1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine

C14H23N — CID 10420497

IUPAC(1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine
SMILESC=CCN(C)[C@@H]1C[C@@H](C(=C)C)CC=C1C
InChIInChI=1S/C14H23N/c1-6-9-15(5)14-10-13(11(2)3)8-7-12(14)4/h6-7,13-14H,1-2,8-10H2,3-5H3/t13-,14+/m0/s1
InChIKeyUVRXFQDKQHIMMZ-UONOGXRCSA-N
MW205.34 g/mol
LogP3.41
Rot. Bonds4

About (1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine

(1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine (PubChem CID 10420497) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name(1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine
PubChem CID10420497
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine
SMILESC=CCN(C)[C@@H]1C[C@@H](C(=C)C)CC=C1C
InChIInChI=1S/C14H23N/c1-6-9-15(5)14-10-13(11(2)3)8-7-12(14)4/h6-7,13-14H,1-2,8-10H2,3-5H3/t13-,14+/m0/s1
InChIKeyUVRXFQDKQHIMMZ-UONOGXRCSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine?
The IUPAC name of (1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine (CID 10420497) is (1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine.
What is the SMILES notation for (1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine?
The canonical SMILES for (1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine is C=CCN(C)[C@@H]1C[C@@H](C(=C)C)CC=C1C.
What is the InChIKey of (1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine?
The InChIKey is UVRXFQDKQHIMMZ-UONOGXRCSA-N. The full InChI is InChI=1S/C14H23N/c1-6-9-15(5)14-10-13(11(2)3)8-7-12(14)4/h6-7,13-14H,1-2,8-10H2,3-5H3/t13-,14+/m0/s1.
What are the key properties of (1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine?
(1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine is sourced from PubChem (CID 10420497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).