N-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine

C15H30N2 — CID 112681244

IUPACN-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
SMILESCCNC(C(C)CC)C1CC2CCC(C1)N2C
InChIInChI=1S/C15H30N2/c1-5-11(3)15(16-6-2)12-9-13-7-8-14(10-12)17(13)4/h11-16H,5-10H2,1-4H3
InChIKeyCIWLPVQOZGBDPC-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.88
Rot. Bonds5

About N-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine

N-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine (PubChem CID 112681244) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
PubChem CID112681244
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
SMILESCCNC(C(C)CC)C1CC2CCC(C1)N2C
InChIInChI=1S/C15H30N2/c1-5-11(3)15(16-6-2)12-9-13-7-8-14(10-12)17(13)4/h11-16H,5-10H2,1-4H3
InChIKeyCIWLPVQOZGBDPC-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine
CID 112681381
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 112681257
N-ethyl-1-(4-ethylcyclohexyl)-2-methylbutan-1-amine
CID 64775258
2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine
CID 112681595
[2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pentyl]hydrazine
CID 107895308
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine
CID 112681259
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine
CID 112681260
2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pentan-1-ol
CID 107893028
N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 115998273
(1R)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 104932140
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine
CID 112681283
N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 115998241

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine (CID 112681244) is N-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine is CCNC(C(C)CC)C1CC2CCC(C1)N2C.
What is the InChIKey of N-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
The InChIKey is CIWLPVQOZGBDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-11(3)15(16-6-2)12-9-13-7-8-14(10-12)17(13)4/h11-16H,5-10H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
N-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine is sourced from PubChem (CID 112681244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).