[[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol

C11H21NO — CID 142399490

IUPAC[[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol
SMILESCCCCC/C=C/C1(NCO)CC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-6-7-11(8-9-11)12-10-13/h6-7,12-13H,2-5,8-10H2,1H3/b7-6+
InChIKeyCMFPQIFHWBRKRA-VOTSOKGWSA-N
MW183.29 g/mol
LogP2.19
Rot. Bonds7

About [[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol

[[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol (PubChem CID 142399490) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol.

Molecular Properties

Compound Name[[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol
PubChem CID142399490
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol
SMILESCCCCC/C=C/C1(NCO)CC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-6-7-11(8-9-11)12-10-13/h6-7,12-13H,2-5,8-10H2,1H3/b7-6+
InChIKeyCMFPQIFHWBRKRA-VOTSOKGWSA-N
XLogP2.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol
CID 89073861
[[1-(4-Methylhexa-1,4-dienyl)cyclopropyl]amino]methanol
CID 123548852
[[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol
CID 142399366
[[1-[(E)-6,6-dimethylhept-1-enyl]cyclopropyl]amino]methanol
CID 142399892
[[(Z)-2-methylnon-3-enyl]amino]methanol
CID 143360686

Frequently Asked Questions

What is the IUPAC name of [[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol?
The IUPAC name of [[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol (CID 142399490) is [[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol.
What is the SMILES notation for [[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol?
The canonical SMILES for [[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol is CCCCC/C=C/C1(NCO)CC1.
What is the InChIKey of [[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol?
The InChIKey is CMFPQIFHWBRKRA-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-5-6-7-11(8-9-11)12-10-13/h6-7,12-13H,2-5,8-10H2,1H3/b7-6+.
What are the key properties of [[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol?
[[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol has a molecular weight of 183.29 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol is sourced from PubChem (CID 142399490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).