1-[(2-methylcycloheptyl)-propylamino]ethanol

C13H27NO — CID 71071733

IUPAC1-[(2-methylcycloheptyl)-propylamino]ethanol
SMILESCCCN(C(C)O)C1CCCCCC1C
InChIInChI=1S/C13H27NO/c1-4-10-14(12(3)15)13-9-7-5-6-8-11(13)2/h11-13,15H,4-10H2,1-3H3
InChIKeyFSWPSUHQQXAUCZ-UHFFFAOYSA-N
MW213.37 g/mol
LogP3.01
Rot. Bonds4

About 1-[(2-methylcycloheptyl)-propylamino]ethanol

1-[(2-methylcycloheptyl)-propylamino]ethanol (PubChem CID 71071733) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-[(2-methylcycloheptyl)-propylamino]ethanol.

Molecular Properties

Compound Name1-[(2-methylcycloheptyl)-propylamino]ethanol
PubChem CID71071733
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name1-[(2-methylcycloheptyl)-propylamino]ethanol
SMILESCCCN(C(C)O)C1CCCCCC1C
InChIInChI=1S/C13H27NO/c1-4-10-14(12(3)15)13-9-7-5-6-8-11(13)2/h11-13,15H,4-10H2,1-3H3
InChIKeyFSWPSUHQQXAUCZ-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[ethyl-(2-methylcyclohexyl)amino]ethanol
CID 89249210
1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol
CID 71071350
1-[butyl-(2-methylcyclopropyl)amino]ethanol
CID 89249341
2-[propan-2-yl(propyl)amino]cycloheptane-1-carboxylic acid
CID 63068949
2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine
CID 43269481
4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol
CID 165491668
1-[ethyl-(2-ethylcyclohexyl)amino]ethanol
CID 89249438
4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol
CID 71071404
2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
CID 63068946
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740
1-[cyclohexyl(2-hydroxyethyl)amino]ethanol
CID 174488564
2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
CID 55194189

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcycloheptyl)-propylamino]ethanol?
The IUPAC name of 1-[(2-methylcycloheptyl)-propylamino]ethanol (CID 71071733) is 1-[(2-methylcycloheptyl)-propylamino]ethanol.
What is the SMILES notation for 1-[(2-methylcycloheptyl)-propylamino]ethanol?
The canonical SMILES for 1-[(2-methylcycloheptyl)-propylamino]ethanol is CCCN(C(C)O)C1CCCCCC1C.
What is the InChIKey of 1-[(2-methylcycloheptyl)-propylamino]ethanol?
The InChIKey is FSWPSUHQQXAUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-10-14(12(3)15)13-9-7-5-6-8-11(13)2/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 1-[(2-methylcycloheptyl)-propylamino]ethanol?
1-[(2-methylcycloheptyl)-propylamino]ethanol has a molecular weight of 213.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcycloheptyl)-propylamino]ethanol is sourced from PubChem (CID 71071733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).