N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine

C12H21NO — CID 43609615

IUPACN-(cyclohex-3-en-1-ylmethyl)oxan-4-amine
SMILESC1=CCC(CNC2CCOCC2)CC1
InChIInChI=1S/C12H21NO/c1-2-4-11(5-3-1)10-13-12-6-8-14-9-7-12/h1-2,11-13H,3-10H2
InChIKeyJUBVBVJMOKJUQT-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine

N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine (PubChem CID 43609615) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)oxan-4-amine
PubChem CID43609615
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)oxan-4-amine
SMILESC1=CCC(CNC2CCOCC2)CC1
InChIInChI=1S/C12H21NO/c1-2-4-11(5-3-1)10-13-12-6-8-14-9-7-12/h1-2,11-13H,3-10H2
InChIKeyJUBVBVJMOKJUQT-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.11
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-[(5-bromo-4-fluorocyclohex-3-en-1-yl)methyl]oxan-4-amine
CID 89703438
2-(Cyclohex-3-en-1-yl)morpholine
CID 67609598
4-[(4R)-4-methylcyclohexen-1-yl]oxypiperidine
CID 68082956
N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
CID 71069597
(6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene
CID 122597382
N-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)oxan-4-amine
CID 123418391
4-methyl-N-[4-(oxan-4-ylidene)butyl]hexan-2-amine
CID 123759937
1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine
CID 150689047
2,4,4a,5,8,8a-hexahydro-1H-3,1-benzoxazine
CID 173109862
3-(Cyclohexa-1,3-dien-1-yloxymethyl)-2-methylpiperidine
CID 173509032
2-(Oxolan-3-yl)-1,2,3,6-tetrahydropyridine
CID 173551440
N-(4-tert-butylcyclohex-3-en-1-yl)oxan-4-amine
CID 177265475

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine (CID 43609615) is N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine is C1=CCC(CNC2CCOCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine?
The InChIKey is JUBVBVJMOKJUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-4-11(5-3-1)10-13-12-6-8-14-9-7-12/h1-2,11-13H,3-10H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine?
N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine is sourced from PubChem (CID 43609615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).