N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine

C11H19NO — CID 107906466

IUPACN-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCC2CCCO2)CCC1
InChIInChI=1S/C11H19NO/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h2,5,10-12H,1,3-4,6-9H2
InChIKeyBWISCGYKHRFAEQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds3

About N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine

N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine (PubChem CID 107906466) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine
PubChem CID107906466
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCC2CCCO2)CCC1
InChIInChI=1S/C11H19NO/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h2,5,10-12H,1,3-4,6-9H2
InChIKeyBWISCGYKHRFAEQ-UHFFFAOYSA-N
XLogP1.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine
CID 107906675
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
N-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine
CID 107908398
N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 104531391
1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine
CID 79459503
[2-(oxan-2-ylmethylamino)cyclopentyl]methanol
CID 106360917
[4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol
CID 107908377
N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855992
(2R,3R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]oxolan-3-amine
CID 97358136
4-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 103953716
ethane;N-methyl-1-(oxolan-2-yl)methanamine
CID 91079378
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine (CID 107906466) is N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine is C1=CC(NCC2CCCO2)CCC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine?
The InChIKey is BWISCGYKHRFAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h2,5,10-12H,1,3-4,6-9H2.
What are the key properties of N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine?
N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 107906466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).