4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile

C16H29N3 — CID 63683776

IUPAC4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCN(C)CC1CC2CCC1C2
InChIInChI=1S/C16H29N3/c1-4-18-16(2,12-17)7-8-19(3)11-15-10-13-5-6-14(15)9-13/h13-15,18H,4-11H2,1-3H3
InChIKeyPGVKOELPZVXRAJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.64
Rot. Bonds7

About 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile

4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile (PubChem CID 63683776) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile.

Molecular Properties

Compound Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile
PubChem CID63683776
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCN(C)CC1CC2CCC1C2
InChIInChI=1S/C16H29N3/c1-4-18-16(2,12-17)7-8-19(3)11-15-10-13-5-6-14(15)9-13/h13-15,18H,4-11H2,1-3H3
InChIKeyPGVKOELPZVXRAJ-UHFFFAOYSA-N
XLogP2.64
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727728
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile
CID 63681653
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 63682697
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794
2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile
CID 106803671
2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile
CID 55258249
methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate
CID 63682513
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 63682344
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63682707
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-N'-propylethane-1,2-diamine
CID 79551627
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55233639
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175

Frequently Asked Questions

What is the IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile?
The IUPAC name of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile (CID 63683776) is 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile.
What is the SMILES notation for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile?
The canonical SMILES for 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile is CCNC(C)(C#N)CCN(C)CC1CC2CCC1C2.
What is the InChIKey of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile?
The InChIKey is PGVKOELPZVXRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-18-16(2,12-17)7-8-19(3)11-15-10-13-5-6-14(15)9-13/h13-15,18H,4-11H2,1-3H3.
What are the key properties of 4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile?
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylbutanenitrile has a molecular weight of 263.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 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]-2-(ethylamino)-2-methylbutanenitrile is sourced from PubChem (CID 63683776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).