N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine

C19H27N — CID 104806170

IUPACN-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine
SMILESCC#CCCC(NCCC)C1CCc2ccccc2C1
InChIInChI=1S/C19H27N/c1-3-5-6-11-19(20-14-4-2)18-13-12-16-9-7-8-10-17(16)15-18/h7-10,18-20H,4,6,11-15H2,1-2H3
InChIKeyWIVFUGUJQFDAQY-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.96
Rot. Bonds6

About N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine

N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine (PubChem CID 104806170) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine.

Molecular Properties

Compound NameN-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine
PubChem CID104806170
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine
SMILESCC#CCCC(NCCC)C1CCc2ccccc2C1
InChIInChI=1S/C19H27N/c1-3-5-6-11-19(20-14-4-2)18-13-12-16-9-7-8-10-17(16)15-18/h7-10,18-20H,4,6,11-15H2,1-2H3
InChIKeyWIVFUGUJQFDAQY-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol
CID 104803923
3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 65405568
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pent-4-yn-1-amine
CID 65404592
1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine
CID 65412290
1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine
CID 65412304
1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine
CID 83161369
N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 65404987
1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine
CID 104807348
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylhex-4-yn-1-amine
CID 105181597
1-(1,1-dioxothiolan-3-yl)-N-propylhex-4-yn-1-amine
CID 113455496
2-cyclobutyl-N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65458172
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79574668

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine?
The IUPAC name of N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine (CID 104806170) is N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine.
What is the SMILES notation for N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine?
The canonical SMILES for N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine is CC#CCCC(NCCC)C1CCc2ccccc2C1.
What is the InChIKey of N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine?
The InChIKey is WIVFUGUJQFDAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-3-5-6-11-19(20-14-4-2)18-13-12-16-9-7-8-10-17(16)15-18/h7-10,18-20H,4,6,11-15H2,1-2H3.
What are the key properties of N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine?
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine is sourced from PubChem (CID 104806170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).