6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol

C15H32N2O — CID 107702972

IUPAC6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol
SMILESCCN(CCCCCCO)C1(CN)CCCCC1
InChIInChI=1S/C15H32N2O/c1-2-17(12-8-3-4-9-13-18)15(14-16)10-6-5-7-11-15/h18H,2-14,16H2,1H3
InChIKeyJVFSWTFNNMAPSZ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.52
Rot. Bonds9

About 6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol

6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol (PubChem CID 107702972) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol
PubChem CID107702972
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol
SMILESCCN(CCCCCCO)C1(CN)CCCCC1
InChIInChI=1S/C15H32N2O/c1-2-17(12-8-3-4-9-13-18)15(14-16)10-6-5-7-11-15/h18H,2-14,16H2,1H3
InChIKeyJVFSWTFNNMAPSZ-UHFFFAOYSA-N
XLogP2.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-(aminomethyl)cyclohexyl]-ethylamino]propan-1-ol
CID 62005069
1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
CID 63481513
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81106190
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
1-(aminomethyl)-N-ethyl-N-(3-methoxypropyl)cycloheptan-1-amine
CID 62007736
4-[[1-(aminomethyl)cyclohexyl]-ethylamino]-N,N-dimethylbutanamide
CID 62004521
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80698631
1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
CID 63487162
1-(aminomethyl)-N-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 62005984
1-(aminomethyl)-N-pentyl-N-propylcyclohexan-1-amine
CID 62006023
3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide
CID 62008325

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol?
The IUPAC name of 6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol (CID 107702972) is 6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol.
What is the SMILES notation for 6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol?
The canonical SMILES for 6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol is CCN(CCCCCCO)C1(CN)CCCCC1.
What is the InChIKey of 6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol?
The InChIKey is JVFSWTFNNMAPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-2-17(12-8-3-4-9-13-18)15(14-16)10-6-5-7-11-15/h18H,2-14,16H2,1H3.
What are the key properties of 6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol?
6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol is sourced from PubChem (CID 107702972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).