4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine

C11H21NO — CID 123706263

IUPAC4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine
SMILESCC(C)=C(C)OC1CCC(N)CC1
InChIInChI=1S/C11H21NO/c1-8(2)9(3)13-11-6-4-10(12)5-7-11/h10-11H,4-7,12H2,1-3H3
InChIKeyPCEJNZICARYISB-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.59
Rot. Bonds2

About 4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine

4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine (PubChem CID 123706263) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine
PubChem CID123706263
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine
SMILESCC(C)=C(C)OC1CCC(N)CC1
InChIInChI=1S/C11H21NO/c1-8(2)9(3)13-11-6-4-10(12)5-7-11/h10-11H,4-7,12H2,1-3H3
InChIKeyPCEJNZICARYISB-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-Propoxycyclohexanamine
CID 21882551
4-(Propan-2-yloxy)cyclohexan-1-amine
CID 54368474
4-Ethoxycyclohexanamine
CID 232633
4-Tert-butoxycyclohexanamine
CID 46840059
(1R,4r)-4-butoxycyclohexan-1-amine
CID 53895949
Trans-4-isobutoxycyclohexanamine
CID 55211740
4-Butan-2-yloxycyclohexan-1-amine
CID 62808115
4-Hexoxycyclohexan-1-amine
CID 62808472
Cyclohexanamine, 4-(pentyloxy)-, trans-
CID 62808652
4-(2,2-Dimethylpropoxy)cyclohexan-1-amine
CID 89636597
4-[(2R)-butan-2-yl]oxycyclohexan-1-amine
CID 94598236
4-[(2S)-butan-2-yl]oxycyclohexan-1-amine
CID 94598237

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine?
The IUPAC name of 4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine (CID 123706263) is 4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine?
The canonical SMILES for 4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine is CC(C)=C(C)OC1CCC(N)CC1.
What is the InChIKey of 4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine?
The InChIKey is PCEJNZICARYISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)9(3)13-11-6-4-10(12)5-7-11/h10-11H,4-7,12H2,1-3H3.
What are the key properties of 4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine?
4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine has a molecular weight of 183.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-2-en-2-yloxy)cyclohexan-1-amine is sourced from PubChem (CID 123706263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).