4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol

C12H26N2O2 — CID 106841176

IUPAC4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol
SMILESCOC1CCC(CN)(NCCCCO)CC1
InChIInChI=1S/C12H26N2O2/c1-16-11-4-6-12(10-13,7-5-11)14-8-2-3-9-15/h11,14-15H,2-10,13H2,1H3
InChIKeyFBGLUFSHZZNSJJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.63
Rot. Bonds7

About 4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol

4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol (PubChem CID 106841176) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol
PubChem CID106841176
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol
SMILESCOC1CCC(CN)(NCCCCO)CC1
InChIInChI=1S/C12H26N2O2/c1-16-11-4-6-12(10-13,7-5-11)14-8-2-3-9-15/h11,14-15H,2-10,13H2,1H3
InChIKeyFBGLUFSHZZNSJJ-UHFFFAOYSA-N
XLogP0.63
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol
CID 106841329
4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol
CID 106841338
2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol
CID 106822123
3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol
CID 65377199
3-[[1-(aminomethyl)-4-propylcycloheptyl]amino]propan-1-ol
CID 65377207
6-[(1-ethylcyclobutyl)amino]hexan-1-ol
CID 107703649
3-[[1-(aminomethyl)-3-propan-2-ylcyclohexyl]amino]propan-1-ol
CID 107449168
ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate
CID 113414624
1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine
CID 106872430
4-[[3-(aminomethyl)-5,5-dimethylthian-3-yl]amino]butan-1-ol
CID 106841301
2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 65379525
3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol
CID 65378451

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol?
The IUPAC name of 4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol (CID 106841176) is 4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol.
What is the SMILES notation for 4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol?
The canonical SMILES for 4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol is COC1CCC(CN)(NCCCCO)CC1.
What is the InChIKey of 4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol?
The InChIKey is FBGLUFSHZZNSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-16-11-4-6-12(10-13,7-5-11)14-8-2-3-9-15/h11,14-15H,2-10,13H2,1H3.
What are the key properties of 4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol?
4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol is sourced from PubChem (CID 106841176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).