3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine

C19H31N — CID 81022863

IUPAC3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
SMILESCCCNCCC(C)(C)CC1CCCc2ccccc21
InChIInChI=1S/C19H31N/c1-4-13-20-14-12-19(2,3)15-17-10-7-9-16-8-5-6-11-18(16)17/h5-6,8,11,17,20H,4,7,9-10,12-15H2,1-3H3
InChIKeyPGXJWSSDJVWBRX-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.91
Rot. Bonds7

About 3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine

3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine (PubChem CID 81022863) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
PubChem CID81022863
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
SMILESCCCNCCC(C)(C)CC1CCCc2ccccc21
InChIInChI=1S/C19H31N/c1-4-13-20-14-12-19(2,3)15-17-10-7-9-16-8-5-6-11-18(16)17/h5-6,8,11,17,20H,4,7,9-10,12-15H2,1-3H3
InChIKeyPGXJWSSDJVWBRX-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine
CID 63771953
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 55241508
2,3-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63770918
2-(4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 63772987
2-methyl-1-(2-methylpropylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 66037048
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid
CID 106488040
N-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopentan-1-amine
CID 63771818
N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine
CID 115812436
2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55188342
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine (CID 81022863) is 3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine is CCCNCCC(C)(C)CC1CCCc2ccccc21.
What is the InChIKey of 3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine?
The InChIKey is PGXJWSSDJVWBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-13-20-14-12-19(2,3)15-17-10-7-9-16-8-5-6-11-18(16)17/h5-6,8,11,17,20H,4,7,9-10,12-15H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine?
3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine is sourced from PubChem (CID 81022863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).