N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine

C16H31NO2 — CID 63684185

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine
SMILESCCOC(CCN(C)CC1CC2CCC1C2)OCC
InChIInChI=1S/C16H31NO2/c1-4-18-16(19-5-2)8-9-17(3)12-15-11-13-6-7-14(15)10-13/h13-16H,4-12H2,1-3H3
InChIKeyDWCAXRFVMCRZMK-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.14
Rot. Bonds9

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine (PubChem CID 63684185) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine
PubChem CID63684185
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine
SMILESCCOC(CCN(C)CC1CC2CCC1C2)OCC
InChIInChI=1S/C16H31NO2/c1-4-18-16(19-5-2)8-9-17(3)12-15-11-13-6-7-14(15)10-13/h13-16H,4-12H2,1-3H3
InChIKeyDWCAXRFVMCRZMK-UHFFFAOYSA-N
XLogP3.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid
CID 63685554
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63682707
methyl 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propylamino)butanoate
CID 63683037
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 63683963
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N',2-dimethylpentane-1,5-diamine
CID 82684236
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 55232044
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine
CID 63712799
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63683279
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-N-methylpropan-1-amine
CID 80667462
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine (CID 63684185) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine is CCOC(CCN(C)CC1CC2CCC1C2)OCC.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine?
The InChIKey is DWCAXRFVMCRZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-18-16(19-5-2)8-9-17(3)12-15-11-13-6-7-14(15)10-13/h13-16H,4-12H2,1-3H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine is sourced from PubChem (CID 63684185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).