(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine

C10H19N — CID 130979836

IUPAC(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)[C@H]1CC[C@H](C)[C@H](N)C1
InChIInChI=1S/C10H19N/c1-7(2)9-5-4-8(3)10(11)6-9/h8-10H,1,4-6,11H2,2-3H3/t8-,9-,10+/m0/s1
InChIKeyUHWWYOIFPWFZOG-LPEHRKFASA-N
MW153.27 g/mol
LogP2.33
Rot. Bonds1

About (1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine

(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine (PubChem CID 130979836) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine
PubChem CID130979836
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)[C@H]1CC[C@H](C)[C@H](N)C1
InChIInChI=1S/C10H19N/c1-7(2)9-5-4-8(3)10(11)6-9/h8-10H,1,4-6,11H2,2-3H3/t8-,9-,10+/m0/s1
InChIKeyUHWWYOIFPWFZOG-LPEHRKFASA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyloct-7-enylazanium
CID 72200507
2-(Prop-2-en-1-yl)cyclohexan-1-amine
CID 12910255
3,7-Dimethyloct-7-en-1-amine
CID 53497564
trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine
CID 12910256
2-(4-Methylidenecyclohexyl)ethanamine
CID 89029468
1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine
CID 118401831
(1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-amine
CID 11506523
(3R)-3,7-dimethyl-6-methylideneoctan-1-amine
CID 90715518
(1R,2R)-1-cyclohexyl-2-methylbut-3-en-1-amine
CID 96009176
Dihydrocarvylamin
CID 129628515
(1s,2s,4r)-1-Methyl-4-(1-methylethenyl)-2-(methylamino)cyclohexane
CID 129868850
3-Methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163172

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine?
The IUPAC name of (1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine (CID 130979836) is (1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine.
What is the SMILES notation for (1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine?
The canonical SMILES for (1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine is C=C(C)[C@H]1CC[C@H](C)[C@H](N)C1.
What is the InChIKey of (1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine?
The InChIKey is UHWWYOIFPWFZOG-LPEHRKFASA-N. The full InChI is InChI=1S/C10H19N/c1-7(2)9-5-4-8(3)10(11)6-9/h8-10H,1,4-6,11H2,2-3H3/t8-,9-,10+/m0/s1.
What are the key properties of (1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine?
(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine is sourced from PubChem (CID 130979836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).