3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine

C14H29N3 — CID 43272772

IUPAC3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCC(C)N(C)C1(CN)CC2CCC(C1)N2C
InChIInChI=1S/C14H29N3/c1-5-11(2)17(4)14(10-15)8-12-6-7-13(9-14)16(12)3/h11-13H,5-10,15H2,1-4H3
InChIKeyUTDFGEJFEPLWJC-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.67
Rot. Bonds4

About 3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine

3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43272772) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43272772
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCC(C)N(C)C1(CN)CC2CCC(C1)N2C
InChIInChI=1S/C14H29N3/c1-5-11(2)17(4)14(10-15)8-12-6-7-13(9-14)16(12)3/h11-13H,5-10,15H2,1-4H3
InChIKeyUTDFGEJFEPLWJC-UHFFFAOYSA-N
XLogP1.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43267019
3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43613913
3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131841
3-(aminomethyl)-N-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131839
3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine
CID 55141796
3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(4-methylpentan-2-yl)pyrrolidin-3-amine
CID 62977877
1-(aminomethyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)-3-propan-2-ylcyclobutan-1-amine
CID 103563172
3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine
CID 81468809
1-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylcyclopentan-1-amine
CID 64501372
1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
CID 65045613
1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)cyclopropan-1-amine
CID 106661145
[3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 61421093

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43272772) is 3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine is CCC(C)N(C)C1(CN)CC2CCC(C1)N2C.
What is the InChIKey of 3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is UTDFGEJFEPLWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-11(2)17(4)14(10-15)8-12-6-7-13(9-14)16(12)3/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 239.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43272772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).