6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol

C12H25NO — CID 103737958

IUPAC6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol
SMILESCCN(CCCCCCO)CC1CC1
InChIInChI=1S/C12H25NO/c1-2-13(11-12-7-8-12)9-5-3-4-6-10-14/h12,14H,2-11H2,1H3
InChIKeySBKNJFOYHYZPKD-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds9

About 6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol

6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol (PubChem CID 103737958) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol
PubChem CID103737958
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol
SMILESCCN(CCCCCCO)CC1CC1
InChIInChI=1S/C12H25NO/c1-2-13(11-12-7-8-12)9-5-3-4-6-10-14/h12,14H,2-11H2,1H3
InChIKeySBKNJFOYHYZPKD-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79716629
3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
4-[cyclohexylmethyl(propyl)amino]butan-1-ol
CID 110931716
2-[ethyl-[(4-propylcyclohexyl)methyl]amino]ethanol
CID 90928532
2-[2-[cyclopropylmethyl(ethyl)amino]ethoxy]ethanol
CID 63956453
N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine
CID 63939122
6-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)hexan-1-ol
CID 64789640
N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
CID 79715887
N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine
CID 115873081
5-[cyclopropylmethyl(ethyl)amino]pentanehydrazide
CID 63940685
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64789438

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol?
The IUPAC name of 6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol (CID 103737958) is 6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol?
The canonical SMILES for 6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol is CCN(CCCCCCO)CC1CC1.
What is the InChIKey of 6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol?
The InChIKey is SBKNJFOYHYZPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-13(11-12-7-8-12)9-5-3-4-6-10-14/h12,14H,2-11H2,1H3.
What are the key properties of 6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol?
6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol is sourced from PubChem (CID 103737958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).