N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine

C12H23N — CID 103564913

IUPACN-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine
SMILESCCNCC1CC12CC(C(C)C)C2
InChIInChI=1S/C12H23N/c1-4-13-8-11-7-12(11)5-10(6-12)9(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyAKMIFDFHZLZEGP-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.67
Rot. Bonds4

About N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine

N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine (PubChem CID 103564913) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine
PubChem CID103564913
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine
SMILESCCNCC1CC12CC(C(C)C)C2
InChIInChI=1S/C12H23N/c1-4-13-8-11-7-12(11)5-10(6-12)9(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyAKMIFDFHZLZEGP-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.67
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-(spiro[2.6]nonan-2-ylmethyl)ethanamine
CID 62708350
N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine
CID 106824127
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine
CID 130138088
N-(spiro[1,3-dihydroindene-2,2'-cyclopropane]-1'-ylmethyl)ethanamine
CID 55135116
N-[(6-propylspiro[2.5]octan-2-yl)methyl]ethanamine
CID 62707804
N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029701
2-ethyl-6-propan-2-ylspiro[2.4]heptane
CID 123260811
2-methyl-N-(spiro[2.6]nonan-2-ylmethyl)propan-1-amine
CID 62714784
1,1-diethyl-3-propan-2-ylcyclobutane
CID 162172993
N-[(6-ethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-1-amine
CID 62712279
N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine
CID 106824129

Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine (CID 103564913) is N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine is CCNCC1CC12CC(C(C)C)C2.
What is the InChIKey of N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine?
The InChIKey is AKMIFDFHZLZEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-13-8-11-7-12(11)5-10(6-12)9(2)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine?
N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine has a molecular weight of 181.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine is sourced from PubChem (CID 103564913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).