N-(spiro[2.6]nonan-2-ylmethyl)ethanamine

C12H23N — CID 62708350

IUPACN-(spiro[2.6]nonan-2-ylmethyl)ethanamine
SMILESCCNCC1CC12CCCCCC2
InChIInChI=1S/C12H23N/c1-2-13-10-11-9-12(11)7-5-3-4-6-8-12/h11,13H,2-10H2,1H3
InChIKeyTVNMUDHHKKJURB-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.96
Rot. Bonds3

About N-(spiro[2.6]nonan-2-ylmethyl)ethanamine

N-(spiro[2.6]nonan-2-ylmethyl)ethanamine (PubChem CID 62708350) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(spiro[2.6]nonan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(spiro[2.6]nonan-2-ylmethyl)ethanamine
PubChem CID62708350
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(spiro[2.6]nonan-2-ylmethyl)ethanamine
SMILESCCNCC1CC12CCCCCC2
InChIInChI=1S/C12H23N/c1-2-13-10-11-9-12(11)7-5-3-4-6-8-12/h11,13H,2-10H2,1H3
InChIKeyTVNMUDHHKKJURB-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(spiro[2.11]tetradecan-2-ylmethyl)ethanamine
CID 63513335
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine
CID 130138088
2-methyl-N-(spiro[2.6]nonan-2-ylmethyl)propan-1-amine
CID 62714784
N-[(6-propylspiro[2.5]octan-2-yl)methyl]ethanamine
CID 62707804
(2R)-2-ethylspiro[2.4]heptane
CID 147630807
N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine
CID 103564913
N-(spiro[2.6]nonan-2-ylmethyl)cyclopropanamine
CID 62712980
N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine
CID 106824127
N-(spiro[1,3-dihydroindene-2,2'-cyclopropane]-1'-ylmethyl)ethanamine
CID 55135116
N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine
CID 65087341
2-methyl-N-(spiro[2.5]octan-2-ylmethyl)propanamide
CID 162496164
[(2R)-spiro[2.5]octan-2-yl]methanol
CID 129372228

Frequently Asked Questions

What is the IUPAC name of N-(spiro[2.6]nonan-2-ylmethyl)ethanamine?
The IUPAC name of N-(spiro[2.6]nonan-2-ylmethyl)ethanamine (CID 62708350) is N-(spiro[2.6]nonan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(spiro[2.6]nonan-2-ylmethyl)ethanamine?
The canonical SMILES for N-(spiro[2.6]nonan-2-ylmethyl)ethanamine is CCNCC1CC12CCCCCC2.
What is the InChIKey of N-(spiro[2.6]nonan-2-ylmethyl)ethanamine?
The InChIKey is TVNMUDHHKKJURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-13-10-11-9-12(11)7-5-3-4-6-8-12/h11,13H,2-10H2,1H3.
What are the key properties of N-(spiro[2.6]nonan-2-ylmethyl)ethanamine?
N-(spiro[2.6]nonan-2-ylmethyl)ethanamine has a molecular weight of 181.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(spiro[2.6]nonan-2-ylmethyl)ethanamine is sourced from PubChem (CID 62708350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).