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

C12H23NO — CID 115929605

IUPAC[1-(6-methylhept-5-en-2-ylamino)cyclopropyl]methanol
SMILESCC(C)=CCCC(C)NC1(CO)CC1
InChIInChI=1S/C12H23NO/c1-10(2)5-4-6-11(3)13-12(9-14)7-8-12/h5,11,13-14H,4,6-9H2,1-3H3
InChIKeyKSRKGBJERCWTPZ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds6

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

[1-(6-methylhept-5-en-2-ylamino)cyclopropyl]methanol (PubChem CID 115929605) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [1-(6-methylhept-5-en-2-ylamino)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(6-methylhept-5-en-2-ylamino)cyclopropyl]methanol
PubChem CID115929605
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[1-(6-methylhept-5-en-2-ylamino)cyclopropyl]methanol
SMILESCC(C)=CCCC(C)NC1(CO)CC1
InChIInChI=1S/C12H23NO/c1-10(2)5-4-6-11(3)13-12(9-14)7-8-12/h5,11,13-14H,4,6-9H2,1-3H3
InChIKeyKSRKGBJERCWTPZ-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.24
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

4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol
CID 115976095
1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol
CID 131903414
4-[[1-(aminomethyl)cyclopropyl]amino]pentan-1-ol
CID 106661332
3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol
CID 83177389
(2R)-1-(6-methylhept-5-en-2-ylamino)propan-2-ol
CID 103906843
tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]amino]butanoate
CID 115977937
(2R)-N-butyl-6-methylhept-5-en-2-amine
CID 121451100
(2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol
CID 124706434
N-(6-methylhept-5-en-2-yl)thian-3-amine
CID 115726564
CID 173125400
CID 173125400
2-(6-methylhept-5-en-2-ylamino)hexanoic acid
CID 122039686
(2S)-2-(6-methylhept-5-en-2-ylamino)hexanoic acid
CID 122044862

Frequently Asked Questions

What is the IUPAC name of [1-(6-methylhept-5-en-2-ylamino)cyclopropyl]methanol?
The IUPAC name of [1-(6-methylhept-5-en-2-ylamino)cyclopropyl]methanol (CID 115929605) is [1-(6-methylhept-5-en-2-ylamino)cyclopropyl]methanol.
What is the SMILES notation for [1-(6-methylhept-5-en-2-ylamino)cyclopropyl]methanol?
The canonical SMILES for [1-(6-methylhept-5-en-2-ylamino)cyclopropyl]methanol is CC(C)=CCCC(C)NC1(CO)CC1.
What is the InChIKey of [1-(6-methylhept-5-en-2-ylamino)cyclopropyl]methanol?
The InChIKey is KSRKGBJERCWTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)5-4-6-11(3)13-12(9-14)7-8-12/h5,11,13-14H,4,6-9H2,1-3H3.
What are the key properties of [1-(6-methylhept-5-en-2-ylamino)cyclopropyl]methanol?
[1-(6-methylhept-5-en-2-ylamino)cyclopropyl]methanol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 6 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)cyclopropyl]methanol is sourced from PubChem (CID 115929605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).