2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine

C14H27NO — CID 65162768

IUPAC2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine
SMILESNC1CCCCCC1CCCC1CCCO1
InChIInChI=1S/C14H27NO/c15-14-10-3-1-2-6-12(14)7-4-8-13-9-5-11-16-13/h12-14H,1-11,15H2
InChIKeyVVIKSXKQIIQXDY-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.24
Rot. Bonds4

About 2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine

2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine (PubChem CID 65162768) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine
PubChem CID65162768
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine
SMILESNC1CCCCCC1CCCC1CCCO1
InChIInChI=1S/C14H27NO/c15-14-10-3-1-2-6-12(14)7-4-8-13-9-5-11-16-13/h12-14H,1-11,15H2
InChIKeyVVIKSXKQIIQXDY-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
2-[3-(2-chlorocyclopentyl)propyl]oxolane
CID 65166471
N-[[2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]propan-2-amine
CID 81024162
2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
CID 81033452
2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
CID 81008976
5-(oxolan-2-yl)pentanamide
CID 67128385
2-[3-(oxolan-2-yl)propyl]azepane
CID 65165342
2-(3-bromopropyl)oxolane
CID 15783712
2-(3-chloropropyl)oxane
CID 23511686
N-[[2-[3-(oxolan-2-yl)propyl]cyclobutyl]methyl]propan-2-amine
CID 81017533
N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64927836

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine?
The IUPAC name of 2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine (CID 65162768) is 2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine.
What is the SMILES notation for 2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine?
The canonical SMILES for 2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine is NC1CCCCCC1CCCC1CCCO1.
What is the InChIKey of 2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine?
The InChIKey is VVIKSXKQIIQXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c15-14-10-3-1-2-6-12(14)7-4-8-13-9-5-11-16-13/h12-14H,1-11,15H2.
What are the key properties of 2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine?
2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine is sourced from PubChem (CID 65162768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).