N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine

C16H29NO2 — CID 55036625

IUPACN-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine
SMILESC1CCCC(CNC2CC2)(OCC2CCCO2)CC1
InChIInChI=1S/C16H29NO2/c1-2-4-10-16(9-3-1,13-17-14-7-8-14)19-12-15-6-5-11-18-15/h14-15,17H,1-13H2
InChIKeyBHVMVGUVNKOENF-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.03
Rot. Bonds6

About N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine

N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine (PubChem CID 55036625) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine
PubChem CID55036625
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine
SMILESC1CCCC(CNC2CC2)(OCC2CCCO2)CC1
InChIInChI=1S/C16H29NO2/c1-2-4-10-16(9-3-1,13-17-14-7-8-14)19-12-15-6-5-11-18-15/h14-15,17H,1-13H2
InChIKeyBHVMVGUVNKOENF-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62107940
2-methyl-N-[[1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
CID 62107941
N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
CID 62106678
2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane
CID 114772663
N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine
CID 106204875
N-[[1-(oxolan-3-yloxy)cyclohexyl]methyl]cyclopropanamine
CID 63557278
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
N-[(1-butoxycycloheptyl)methyl]cyclopropanamine
CID 62107297
2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110273
[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 65050953
N-[[1-(3-methylbutoxy)cycloheptyl]methyl]cyclopropanamine
CID 55036334
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 103180407

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine (CID 55036625) is N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine is C1CCCC(CNC2CC2)(OCC2CCCO2)CC1.
What is the InChIKey of N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is BHVMVGUVNKOENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-4-10-16(9-3-1,13-17-14-7-8-14)19-12-15-6-5-11-18-15/h14-15,17H,1-13H2.
What are the key properties of N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine?
N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 267.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 55036625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).