N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine

C17H29NO — CID 116523798

IUPACN-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
SMILESCC1(C)CCC(CC2(CNC3CC3)CC3CC3C2)O1
InChIInChI=1S/C17H29NO/c1-16(2)6-5-15(19-16)10-17(11-18-14-3-4-14)8-12-7-13(12)9-17/h12-15,18H,3-11H2,1-2H3
InChIKeyQSWLRQDWQNBAEL-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.50
Rot. Bonds5

About N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine

N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine (PubChem CID 116523798) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
PubChem CID116523798
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
SMILESCC1(C)CCC(CC2(CNC3CC3)CC3CC3C2)O1
InChIInChI=1S/C17H29NO/c1-16(2)6-5-15(19-16)10-17(11-18-14-3-4-14)8-12-7-13(12)9-17/h12-15,18H,3-11H2,1-2H3
InChIKeyQSWLRQDWQNBAEL-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 116523643
5-[[3-(bromomethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2,2-dimethyloxolane
CID 116525254
5-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethyloxolane
CID 116525208
N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine
CID 116521230
1-[(5,5-dimethyloxolan-2-yl)methyl]-4-(methylamino)cyclohexan-1-ol
CID 116525051
N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 116522137
[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol
CID 116525124
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 116523652
N-[[3-(2-propylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 106730275
N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine
CID 116523829
N-[[3-(cyclopropylmethoxymethyl)-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 106930951
N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 116523691

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine (CID 116523798) is N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine is CC1(C)CCC(CC2(CNC3CC3)CC3CC3C2)O1.
What is the InChIKey of N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
The InChIKey is QSWLRQDWQNBAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-16(2)6-5-15(19-16)10-17(11-18-14-3-4-14)8-12-7-13(12)9-17/h12-15,18H,3-11H2,1-2H3.
What are the key properties of N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine has a molecular weight of 263.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine is sourced from PubChem (CID 116523798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).