2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine

C10H18N4 — CID 86078004

IUPAC2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)C1CCC(C)(N=[N+]=[N-])C(N)C1
InChIInChI=1S/C10H18N4/c1-7(2)8-4-5-10(3,13-14-12)9(11)6-8/h8-9H,1,4-6,11H2,2-3H3
InChIKeyKWYDYKXVZBHFKV-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.76
Rot. Bonds2

About 2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine

2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine (PubChem CID 86078004) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine
PubChem CID86078004
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)C1CCC(C)(N=[N+]=[N-])C(N)C1
InChIInChI=1S/C10H18N4/c1-7(2)8-4-5-10(3,13-14-12)9(11)6-8/h8-9H,1,4-6,11H2,2-3H3
InChIKeyKWYDYKXVZBHFKV-UHFFFAOYSA-N
XLogP2.76
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S,5R)-2-azido-2-methyl-5-prop-1-en-2-ylcyclohexyl] methanesulfonate
CID 11011167
[(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane
CID 101246602
1-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 155018164
(1S,2R,4S)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
CID 86310295
(1S,3aS,4R,7S,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol
CID 71719409
cis-(1R,4R)-2-[(2R,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]tellanyl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 177393311
(1R,4aR,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-amine
CID 636716
(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol
CID 59881047
(1R,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
CID 641756
(4aR,6S,8aR)-8a-methyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-benzo[b][1,4]oxathiine
CID 101418903
(1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 132988527
6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.2.0]octan-8-one
CID 164910073

Frequently Asked Questions

What is the IUPAC name of 2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine?
The IUPAC name of 2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine (CID 86078004) is 2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine is C=C(C)C1CCC(C)(N=[N+]=[N-])C(N)C1.
What is the InChIKey of 2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine?
The InChIKey is KWYDYKXVZBHFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)8-4-5-10(3,13-14-12)9(11)6-8/h8-9H,1,4-6,11H2,2-3H3.
What are the key properties of 2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine?
2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine is sourced from PubChem (CID 86078004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).