N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine

C16H29NO — CID 106204875

IUPACN-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine
SMILESC1CCCC(CNC2CC2)(OCCC2CC2)CC1
InChIInChI=1S/C16H29NO/c1-2-4-11-16(10-3-1,13-17-15-7-8-15)18-12-9-14-5-6-14/h14-15,17H,1-13H2
InChIKeyQAZWFQVQKXAINV-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.65
Rot. Bonds7

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

N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine (PubChem CID 106204875) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine
PubChem CID106204875
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine
SMILESC1CCCC(CNC2CC2)(OCCC2CC2)CC1
InChIInChI=1S/C16H29NO/c1-2-4-11-16(10-3-1,13-17-15-7-8-15)18-12-9-14-5-6-14/h14-15,17H,1-13H2
InChIKeyQAZWFQVQKXAINV-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 112589392
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
N-[(1-butoxycycloheptyl)methyl]cyclopropanamine
CID 62107297
N-[[1-(3-methylbutoxy)cycloheptyl]methyl]cyclopropanamine
CID 55036334
N-[(1-octoxycyclohexyl)methyl]cyclopropanamine
CID 63476268
1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane
CID 106204781
N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine
CID 103991695
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 103180407
N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine
CID 62110714
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclopentyl]methyl]cyclopropanamine
CID 103180337
N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine
CID 55036625
N-[[1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62107940

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine (CID 106204875) is N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine is C1CCCC(CNC2CC2)(OCCC2CC2)CC1.
What is the InChIKey of N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is QAZWFQVQKXAINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-4-11-16(10-3-1,13-17-15-7-8-15)18-12-9-14-5-6-14/h14-15,17H,1-13H2.
What are the key properties of N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine?
N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 251.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 106204875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).