2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol

C14H27NO — CID 63939487

IUPAC2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol
SMILESCCN(CC1CC1)CC1CCCCCC1O
InChIInChI=1S/C14H27NO/c1-2-15(10-12-8-9-12)11-13-6-4-3-5-7-14(13)16/h12-14,16H,2-11H2,1H3
InChIKeyPOZQVLKGMHYUAI-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds5

About 2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol

2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol (PubChem CID 63939487) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol
PubChem CID63939487
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol
SMILESCCN(CC1CC1)CC1CCCCCC1O
InChIInChI=1S/C14H27NO/c1-2-15(10-12-8-9-12)11-13-6-4-3-5-7-14(13)16/h12-14,16H,2-11H2,1H3
InChIKeyPOZQVLKGMHYUAI-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol (CID 63939487) is 2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol is CCN(CC1CC1)CC1CCCCCC1O.
What is the InChIKey of 2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is POZQVLKGMHYUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-15(10-12-8-9-12)11-13-6-4-3-5-7-14(13)16/h12-14,16H,2-11H2,1H3.
What are the key properties of 2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol?
2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 63939487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).