(1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol

C21H41NO2 — CID 142820170

IUPAC(1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol
SMILESC=CCCCCCC1(CO)CC1.CNCCCCCC1(CO)CC1
InChIInChI=1S/C11H20O.C10H21NO/c1-2-3-4-5-6-7-11(10-12)8-9-11;1-11-8-4-2-3-5-10(9-12)6-7-10/h2,12H,1,3-10H2;11-12H,2-9H2,1H3
InChIKeyOODRPLIXPMIVLY-UHFFFAOYSA-N
MW339.56 g/mol
LogP4.43
Rot. Bonds14

About (1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol

(1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol (PubChem CID 142820170) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is (1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol.

Molecular Properties

Compound Name(1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol
PubChem CID142820170
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name(1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol
SMILESC=CCCCCCC1(CO)CC1.CNCCCCCC1(CO)CC1
InChIInChI=1S/C11H20O.C10H21NO/c1-2-3-4-5-6-7-11(10-12)8-9-11;1-11-8-4-2-3-5-10(9-12)6-7-10/h2,12H,1,3-10H2;11-12H,2-9H2,1H3
InChIKeyOODRPLIXPMIVLY-UHFFFAOYSA-N
XLogP4.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[5-(methylamino)pentyl]cyclopropyl]methanol
CID 142820171
[1-(hept-6-enylamino)cyclohexyl]methanol
CID 107006791
N-hept-6-enyl-1-methylcyclopentan-1-amine
CID 107006665
1-non-8-enylcyclopropane-1-sulfonic acid
CID 22499269
1-(methylamino)dec-9-en-3-one
CID 107010832
N-ethenylhept-6-en-1-amine
CID 145124117
1-hex-5-enyl-3-methylurea
CID 171623663
1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 107006902
methyl undec-10-enedithioate
CID 134988678
(2R)-2-dec-9-enyl-2-methyloxetane
CID 102038104
1-(hept-6-enylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 107006348
(3E,5E)-5-[[5-(methylamino)pentylamino]oxymethyl]undeca-1,3,5,10-tetraen-3-ol
CID 145134277

Frequently Asked Questions

What is the IUPAC name of (1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol?
The IUPAC name of (1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol (CID 142820170) is (1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol.
What is the SMILES notation for (1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol?
The canonical SMILES for (1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol is C=CCCCCCC1(CO)CC1.CNCCCCCC1(CO)CC1.
What is the InChIKey of (1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol?
The InChIKey is OODRPLIXPMIVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O.C10H21NO/c1-2-3-4-5-6-7-11(10-12)8-9-11;1-11-8-4-2-3-5-10(9-12)6-7-10/h2,12H,1,3-10H2;11-12H,2-9H2,1H3.
What are the key properties of (1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol?
(1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol has a molecular weight of 339.56 g/mol, XLogP of 4.43, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hept-6-enylcyclopropyl)methanol;[1-[5-(methylamino)pentyl]cyclopropyl]methanol is sourced from PubChem (CID 142820170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).