N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine

C14H23NO — CID 167456511

IUPACN-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine
SMILESCC(C)C1=CCCC=C1NC1CCOCC1
InChIInChI=1S/C14H23NO/c1-11(2)13-5-3-4-6-14(13)15-12-7-9-16-10-8-12/h5-6,11-12,15H,3-4,7-10H2,1-2H3
InChIKeyMQUUSXSDTCHLTO-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.02
Rot. Bonds3

About N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine

N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine (PubChem CID 167456511) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine
PubChem CID167456511
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine
SMILESCC(C)C1=CCCC=C1NC1CCOCC1
InChIInChI=1S/C14H23NO/c1-11(2)13-5-3-4-6-14(13)15-12-7-9-16-10-8-12/h5-6,11-12,15H,3-4,7-10H2,1-2H3
InChIKeyMQUUSXSDTCHLTO-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-fluoro-4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine
CID 167114462
2-(Oxan-4-yl)-1,2-dihydropyridin-5-amine
CID 89877304
(Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(oxan-4-yl)prop-1-ene-1,3-diamine
CID 118549012
N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine
CID 134473571
(2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine
CID 139297014
ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine
CID 142345300
1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine;ethane
CID 142345328
(2E,4E)-4-N-methyl-2-N-(oxan-4-ylmethyl)-3-prop-1-en-2-ylhepta-2,4,6-triene-2,4-diamine
CID 144055462
ethane;(3Z)-5-methyl-N-(oxan-4-ylmethyl)hexa-1,3,5-trien-2-amine
CID 153333975
ethane;(3Z)-5-methyl-N-(oxan-3-ylmethyl)hexa-1,3,5-trien-2-amine
CID 153334023
N-(4-methylcyclohexa-1,3-dien-1-yl)oxan-2-amine
CID 155244660
6-Methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine
CID 167023582

Frequently Asked Questions

What is the IUPAC name of N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine?
The IUPAC name of N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine (CID 167456511) is N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine.
What is the SMILES notation for N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine?
The canonical SMILES for N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine is CC(C)C1=CCCC=C1NC1CCOCC1.
What is the InChIKey of N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine?
The InChIKey is MQUUSXSDTCHLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)13-5-3-4-6-14(13)15-12-7-9-16-10-8-12/h5-6,11-12,15H,3-4,7-10H2,1-2H3.
What are the key properties of N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine?
N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine has a molecular weight of 221.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine is sourced from PubChem (CID 167456511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).