N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine

C19H31N — CID 43494268

IUPACN-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
SMILESCCCCCC(NCCC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H31N/c1-3-5-6-11-19(20-14-4-2)18-13-12-16-9-7-8-10-17(16)15-18/h12-13,15,19-20H,3-11,14H2,1-2H3
InChIKeyBTXVPCZGOPKVLM-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.19
Rot. Bonds8

About N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine

N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine (PubChem CID 43494268) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine.

Molecular Properties

Compound NameN-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
PubChem CID43494268
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
SMILESCCCCCC(NCCC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H31N/c1-3-5-6-11-19(20-14-4-2)18-13-12-16-9-7-8-10-17(16)15-18/h12-13,15,19-20H,3-11,14H2,1-2H3
InChIKeyBTXVPCZGOPKVLM-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.19
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

1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine
CID 114752406
1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine
CID 115814837
6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one
CID 43496187
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-propylhexan-1-amine
CID 63506701
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
N-[2,2,2-trifluoro-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propan-1-amine
CID 43494261
1-(3-bromophenyl)-N-propyldecan-1-amine
CID 63413098
(3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol
CID 100938852
2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 63502995
1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499
1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine
CID 63414063
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
CID 55145403

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine?
The IUPAC name of N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine (CID 43494268) is N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine.
What is the SMILES notation for N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine?
The canonical SMILES for N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine is CCCCCC(NCCC)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine?
The InChIKey is BTXVPCZGOPKVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-5-6-11-19(20-14-4-2)18-13-12-16-9-7-8-10-17(16)15-18/h12-13,15,19-20H,3-11,14H2,1-2H3.
What are the key properties of N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine?
N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine is sourced from PubChem (CID 43494268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).