N-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine

C13H25NO — CID 106874334

IUPACN-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine
SMILESCOC1CCCCC12CC2CNC(C)C
InChIInChI=1S/C13H25NO/c1-10(2)14-9-11-8-13(11)7-5-4-6-12(13)15-3/h10-12,14H,4-9H2,1-3H3
InChIKeyVMRICTACBPOEPW-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds4

About N-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine

N-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine (PubChem CID 106874334) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine
PubChem CID106874334
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine
SMILESCOC1CCCCC12CC2CNC(C)C
InChIInChI=1S/C13H25NO/c1-10(2)14-9-11-8-13(11)7-5-4-6-12(13)15-3/h10-12,14H,4-9H2,1-3H3
InChIKeyVMRICTACBPOEPW-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxycyclohexane-1,1-diamine
CID 22418278
N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine
CID 62712621
N-[(6-ethylspiro[2.4]heptan-2-yl)methyl]propan-2-amine
CID 64516469
3-methoxyspiro[3.4]octan-1-amine
CID 66357973
N-[(2-ethyl-2-methylcyclopropyl)methyl]propan-2-amine
CID 62704797
1-(butan-2-ylamino)-2-methoxycyclohexane-1-carbonitrile
CID 106872921
1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872183
N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine
CID 81030355
N-[(2-methoxycyclopentyl)methyl]propan-2-amine
CID 170206706
2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide
CID 106872898
N-(5-oxaspiro[2.4]heptan-2-ylmethyl)propan-2-amine
CID 63333426
N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine
CID 106523445

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine (CID 106874334) is N-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine is COC1CCCCC12CC2CNC(C)C.
What is the InChIKey of N-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine?
The InChIKey is VMRICTACBPOEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)14-9-11-8-13(11)7-5-4-6-12(13)15-3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine?
N-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 106874334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).