1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol

C14H27NO — CID 104582555

IUPAC1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol
SMILESC=CCCC(C)NCC1(O)CCCCCC1
InChIInChI=1S/C14H27NO/c1-3-4-9-13(2)15-12-14(16)10-7-5-6-8-11-14/h3,13,15-16H,1,4-12H2,2H3
InChIKeyHWJFDOHDCONNAA-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.02
Rot. Bonds6

About 1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol

1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol (PubChem CID 104582555) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol
PubChem CID104582555
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol
SMILESC=CCCC(C)NCC1(O)CCCCCC1
InChIInChI=1S/C14H27NO/c1-3-4-9-13(2)15-12-14(16)10-7-5-6-8-11-14/h3,13,15-16H,1,4-12H2,2H3
InChIKeyHWJFDOHDCONNAA-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.02
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

(3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol
CID 99636838
1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
CID 64604658
1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105584
1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol
CID 64643391
1-[(nonan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105272
1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol
CID 130502696
1-[(1-methoxypropan-2-ylamino)methyl]cyclopentan-1-ol
CID 65107675
methyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122312
N'-hydroxy-3-[(1-hydroxycycloheptyl)methylamino]butanimidamide
CID 77056752
1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 55152835
1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol
CID 131903414
1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol
CID 104892073

Frequently Asked Questions

What is the IUPAC name of 1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol (CID 104582555) is 1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol is C=CCCC(C)NCC1(O)CCCCCC1.
What is the InChIKey of 1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol?
The InChIKey is HWJFDOHDCONNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-9-13(2)15-12-14(16)10-7-5-6-8-11-14/h3,13,15-16H,1,4-12H2,2H3.
What are the key properties of 1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol?
1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 104582555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).