N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine

C17H31NO — CID 106930723

IUPACN-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(COCC2CC2)CC2CCC1C2
InChIInChI=1S/C17H31NO/c1-13(2)9-18-11-17(12-19-10-14-3-4-14)8-15-5-6-16(17)7-15/h13-16,18H,3-12H2,1-2H3
InChIKeyBYNJALQLZABSTM-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.46
Rot. Bonds8

About N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine

N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine (PubChem CID 106930723) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
PubChem CID106930723
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(COCC2CC2)CC2CCC1C2
InChIInChI=1S/C17H31NO/c1-13(2)9-18-11-17(12-19-10-14-3-4-14)8-15-5-6-16(17)7-15/h13-16,18H,3-12H2,1-2H3
InChIKeyBYNJALQLZABSTM-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
CID 104649309
N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 106930991
2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63522364
N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 106705985
2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 103014457
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521992
2-[(2-methylpropylamino)methyl]adamantan-2-ol
CID 62774728
N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 62723558
3-(cyclopropylmethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79628569
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63522177
2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 106930023
N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521466

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine (CID 106930723) is N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(COCC2CC2)CC2CCC1C2.
What is the InChIKey of N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine?
The InChIKey is BYNJALQLZABSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-13(2)9-18-11-17(12-19-10-14-3-4-14)8-15-5-6-16(17)7-15/h13-16,18H,3-12H2,1-2H3.
What are the key properties of N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine?
N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106930723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).