N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

C16H31NO — CID 62723558

IUPACN-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCCCNCC1(CCOC(C)C)CC2CCC1C2
InChIInChI=1S/C16H31NO/c1-4-8-17-12-16(7-9-18-13(2)3)11-14-5-6-15(16)10-14/h13-15,17H,4-12H2,1-3H3
InChIKeyIDBKJIFIHYEVIZ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.61
Rot. Bonds8

About N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (PubChem CID 62723558) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
PubChem CID62723558
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCCCNCC1(CCOC(C)C)CC2CCC1C2
InChIInChI=1S/C16H31NO/c1-4-8-17-12-16(7-9-18-13(2)3)11-14-5-6-15(16)10-14/h13-15,17H,4-12H2,1-3H3
InChIKeyIDBKJIFIHYEVIZ-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 62723555
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 62723557
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 62723559
2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 62724161
2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 62724570
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 62724767
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 62724968
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 62725556
2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 62725563
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 62725757
N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 106705983
N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 106705984

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (CID 62723558) is N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is CCCNCC1(CCOC(C)C)CC2CCC1C2.
What is the InChIKey of N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The InChIKey is IDBKJIFIHYEVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-8-17-12-16(7-9-18-13(2)3)11-14-5-6-15(16)10-14/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is sourced from PubChem (CID 62723558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).