1-[(6-methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol

C14H27NO — CID 115719651

IUPAC1-[(6-methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(C)=CCCC(C)NCC1(O)CCCC1
InChIInChI=1S/C14H27NO/c1-12(2)7-6-8-13(3)15-11-14(16)9-4-5-10-14/h7,13,15-16H,4-6,8-11H2,1-3H3
InChIKeyZAUCBRAHAAZCMG-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.02
Rot. Bonds6

About 1-[(6-methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol

1-[(6-methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 115719651) 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]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(6-methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID115719651
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[(6-methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(C)=CCCC(C)NCC1(O)CCCC1
InChIInChI=1S/C14H27NO/c1-12(2)7-6-8-13(3)15-11-14(16)9-4-5-10-14/h7,13,15-16H,4-6,8-11H2,1-3H3
InChIKeyZAUCBRAHAAZCMG-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

3,7-Dimethyl-2-(propylamino)oct-6-ene-1,3-diol
CID 19928727
2-(3-Hydroxypropylamino)-3,7-dimethyloct-6-ene-1,3-diol
CID 19928742
3,5,7-Trimethyl-2-(propan-2-ylamino)oct-5-en-2-ol
CID 123448730
2,4-Dimethyl-3-(nonylamino)hex-4-en-2-ol
CID 150708407
3-(Decylamino)-2,4-dimethylhex-4-en-2-ol
CID 161540807
(3R)-3-methyl-5-propan-2-yl-1,2,4,7-tetrahydroazepin-3-ol
CID 172496621
3-Methyl-5-propan-2-yl-1,2,4,7-tetrahydroazepin-3-ol
CID 172496734
(3S)-3-methyl-5-propan-2-yl-1,2,4,7-tetrahydroazepin-3-ol
CID 172496778
(2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol
CID 10241221
1-[(Tert-butylamino)methyl]cyclohex-3-en-1-ol
CID 13610209
1-(2-{[(2E)-3,7-dimethyl-2,6-octadien-1-yl]amino}ethyl)cyclopentanol
CID 39746149
1-[2-(6-Methylhept-5-en-2-ylamino)ethyl]cyclopentan-1-ol
CID 56859408

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(6-methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol (CID 115719651) is 1-[(6-methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(6-methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(6-methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol is CC(C)=CCCC(C)NCC1(O)CCCC1.
What is the InChIKey of 1-[(6-methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is ZAUCBRAHAAZCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)7-6-8-13(3)15-11-14(16)9-4-5-10-14/h7,13,15-16H,4-6,8-11H2,1-3H3.
What are the key properties of 1-[(6-methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol?
1-[(6-methylhept-5-en-2-ylamino)methyl]cyclopentan-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-[(6-methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 115719651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).