4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol

C15H30N2O — CID 64899700

IUPAC4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol
SMILESCCNC(CCO)CN(C)CC1CC2CCC1C2
InChIInChI=1S/C15H30N2O/c1-3-16-15(6-7-18)11-17(2)10-14-9-12-4-5-13(14)8-12/h12-16,18H,3-11H2,1-2H3
InChIKeyIMLTUFYMXFWQTJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.71
Rot. Bonds8

About 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol

4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol (PubChem CID 64899700) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol
PubChem CID64899700
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol
SMILESCCNC(CCO)CN(C)CC1CC2CCC1C2
InChIInChI=1S/C15H30N2O/c1-3-16-15(6-7-18)11-17(2)10-14-9-12-4-5-13(14)8-12/h12-16,18H,3-11H2,1-2H3
InChIKeyIMLTUFYMXFWQTJ-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63683279
1-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)propan-2-ol
CID 63682237
4-[cyclohexylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol
CID 64897747
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 63681849
4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 113291286
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-N-methylpropan-1-amine
CID 80667462
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 63682697
3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol
CID 64900540
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine
CID 115845637
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63682707
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide
CID 63682865

Frequently Asked Questions

What is the IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol?
The IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol (CID 64899700) is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol.
What is the SMILES notation for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol?
The canonical SMILES for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol is CCNC(CCO)CN(C)CC1CC2CCC1C2.
What is the InChIKey of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol?
The InChIKey is IMLTUFYMXFWQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-16-15(6-7-18)11-17(2)10-14-9-12-4-5-13(14)8-12/h12-16,18H,3-11H2,1-2H3.
What are the key properties of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol?
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol is sourced from PubChem (CID 64899700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).