1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol

C15H29NO2 — CID 79123282

IUPAC1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(C2(CN)CCOC2)CC1
InChIInChI=1S/C15H29NO2/c1-2-4-13-5-3-7-15(17,8-6-13)14(11-16)9-10-18-12-14/h13,17H,2-12,16H2,1H3
InChIKeyZKEPRKCOJXEZIZ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.46
Rot. Bonds4

About 1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol

1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol (PubChem CID 79123282) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol
PubChem CID79123282
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(C2(CN)CCOC2)CC1
InChIInChI=1S/C15H29NO2/c1-2-4-13-5-3-7-15(17,8-6-13)14(11-16)9-10-18-12-14/h13,17H,2-12,16H2,1H3
InChIKeyZKEPRKCOJXEZIZ-UHFFFAOYSA-N
XLogP2.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol?
The IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol (CID 79123282) is 1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol.
What is the SMILES notation for 1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol?
The canonical SMILES for 1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol is CCCC1CCCC(O)(C2(CN)CCOC2)CC1.
What is the InChIKey of 1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol?
The InChIKey is ZKEPRKCOJXEZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-4-13-5-3-7-15(17,8-6-13)14(11-16)9-10-18-12-14/h13,17H,2-12,16H2,1H3.
What are the key properties of 1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol?
1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxolan-3-yl]-4-propylcycloheptan-1-ol is sourced from PubChem (CID 79123282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).