3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine

C18H30N2 — CID 102913688

IUPAC3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine
SMILESCC(C)C(CNCC1CCNc2ccccc21)C(C)C
InChIInChI=1S/C18H30N2/c1-13(2)17(14(3)4)12-19-11-15-9-10-20-18-8-6-5-7-16(15)18/h5-8,13-15,17,19-20H,9-12H2,1-4H3
InChIKeyCRIXTQDVYQFFLW-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.10
Rot. Bonds6

About 3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine

3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine (PubChem CID 102913688) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine
PubChem CID102913688
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine
SMILESCC(C)C(CNCC1CCNc2ccccc21)C(C)C
InChIInChI=1S/C18H30N2/c1-13(2)17(14(3)4)12-19-11-15-9-10-20-18-8-6-5-7-16(15)18/h5-8,13-15,17,19-20H,9-12H2,1-4H3
InChIKeyCRIXTQDVYQFFLW-UHFFFAOYSA-N
XLogP4.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine
CID 102698687
N-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)methanamine;hydrochloride
CID 165145771
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 102905910
N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide
CID 165439324
4-(bromomethyl)-1,2,3,4-tetrahydroquinoline
CID 119093179
2-methyl-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]propan-1-amine
CID 105491940
2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide
CID 165439492
(4R)-1,2,3,4-tetrahydroquinolin-4-amine
CID 29243671
4-(ethylsulfonylmethyl)-1,2,3,4-tetrahydroquinoline
CID 115104486
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102913570
N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine
CID 80567020
4-[2-(4-ethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63867355

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine?
The IUPAC name of 3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine (CID 102913688) is 3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine?
The canonical SMILES for 3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine is CC(C)C(CNCC1CCNc2ccccc21)C(C)C.
What is the InChIKey of 3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine?
The InChIKey is CRIXTQDVYQFFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13(2)17(14(3)4)12-19-11-15-9-10-20-18-8-6-5-7-16(15)18/h5-8,13-15,17,19-20H,9-12H2,1-4H3.
What are the key properties of 3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine?
3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 102913688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).