[1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol

C14H27NO — CID 56859992

IUPAC[1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol
SMILESCC(C)=CCCC(C)NCC1(CO)CCC1
InChIInChI=1S/C14H27NO/c1-12(2)6-4-7-13(3)15-10-14(11-16)8-5-9-14/h6,13,15-16H,4-5,7-11H2,1-3H3
InChIKeyLZFWOWUMKQRMDR-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.87
Rot. Bonds7

About [1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol

[1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol (PubChem CID 56859992) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol
PubChem CID56859992
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol
SMILESCC(C)=CCCC(C)NCC1(CO)CCC1
InChIInChI=1S/C14H27NO/c1-12(2)6-4-7-13(3)15-10-14(11-16)8-5-9-14/h6,13,15-16H,4-5,7-11H2,1-3H3
InChIKeyLZFWOWUMKQRMDR-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol
CID 67121495
[(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol
CID 156519123
[1-({[(2E)-3,7-dimethyl-2,6-octadien-1-yl]amino}methyl)cyclobutyl]methanol
CID 39819326
[1-[(3,7-Dimethylocta-2,6-dienylamino)methyl]cyclobutyl]methanol
CID 72083780
2-[(Cyclohex-3-en-1-ylamino)methyl]-2-methylbutan-1-ol
CID 81418459
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]pentan-1-ol
CID 103277112
2,2-Dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol
CID 103522628
(3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol
CID 103871771
3-(Cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 103952193
3-[2-(Cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103952213
4,4-Dimethyl-3-(pent-4-enylamino)pentan-1-ol
CID 104627994
3-(Cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol
CID 104628153

Frequently Asked Questions

What is the IUPAC name of [1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol (CID 56859992) is [1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol is CC(C)=CCCC(C)NCC1(CO)CCC1.
What is the InChIKey of [1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol?
The InChIKey is LZFWOWUMKQRMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)6-4-7-13(3)15-10-14(11-16)8-5-9-14/h6,13,15-16H,4-5,7-11H2,1-3H3.
What are the key properties of [1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol?
[1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-methylhept-5-en-2-ylamino)methyl]cyclobutyl]methanol is sourced from PubChem (CID 56859992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).