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

C13H25NO2 — CID 104694128

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine
SMILESCOCC(CNCC1CC2CCC1C2)OC
InChIInChI=1S/C13H25NO2/c1-15-9-13(16-2)8-14-7-12-6-10-3-4-11(12)5-10/h10-14H,3-9H2,1-2H3
InChIKeyZJEZUKMBQSRQCB-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.67
Rot. Bonds7

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

N-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine (PubChem CID 104694128) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine
PubChem CID104694128
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine
SMILESCOCC(CNCC1CC2CCC1C2)OC
InChIInChI=1S/C13H25NO2/c1-15-9-13(16-2)8-14-7-12-6-10-3-4-11(12)5-10/h10-14H,3-9H2,1-2H3
InChIKeyZJEZUKMBQSRQCB-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine
CID 79550151
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpentan-1-amine
CID 63683470
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 104693936
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine
CID 79563312
ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate
CID 55232433
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide
CID 63681793
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79554173
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112589102
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410499
methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate
CID 79623458

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine (CID 104694128) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine is COCC(CNCC1CC2CCC1C2)OC.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine?
The InChIKey is ZJEZUKMBQSRQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-15-9-13(16-2)8-14-7-12-6-10-3-4-11(12)5-10/h10-14H,3-9H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine is sourced from PubChem (CID 104694128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).