N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine

C15H27N — CID 62713504

IUPACN-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine
SMILESCC1CC(C)(C)CC2(C1)CC2CNC1CC1
InChIInChI=1S/C15H27N/c1-11-6-14(2,3)10-15(7-11)8-12(15)9-16-13-4-5-13/h11-13,16H,4-10H2,1-3H3
InChIKeyOIYBLIPKDOTLBF-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.59
Rot. Bonds3

About N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine

N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine (PubChem CID 62713504) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine
PubChem CID62713504
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine
SMILESCC1CC(C)(C)CC2(C1)CC2CNC1CC1
InChIInChI=1S/C15H27N/c1-11-6-14(2,3)10-15(7-11)8-12(15)9-16-13-4-5-13/h11-13,16H,4-10H2,1-3H3
InChIKeyOIYBLIPKDOTLBF-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-methylcyclohexan-1-amine
CID 15921596
4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
Cyclohexanemethylamine, N-cyclopropyl-alpha-methyl-
CID 202159
N-methylspiro[2.5]octan-6-amine
CID 68704589
4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine
CID 146589947
N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine
CID 64757444
N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine
CID 64757640
2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine
CID 64757641
N-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine
CID 64759190
N-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]cyclopropanamine
CID 64759390
2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
CID 114224970
N-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine
CID 114229689

Frequently Asked Questions

What is the IUPAC name of N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine (CID 62713504) is N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine is CC1CC(C)(C)CC2(C1)CC2CNC1CC1.
What is the InChIKey of N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine?
The InChIKey is OIYBLIPKDOTLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-11-6-14(2,3)10-15(7-11)8-12(15)9-16-13-4-5-13/h11-13,16H,4-10H2,1-3H3.
What are the key properties of N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine?
N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine has a molecular weight of 221.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62713504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).