N-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine

C15H19N — CID 115871884

IUPACN-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESC#CCCCNc1cccc2c1CCCC2
InChIInChI=1S/C15H19N/c1-2-3-6-12-16-15-11-7-9-13-8-4-5-10-14(13)15/h1,7,9,11,16H,3-6,8,10,12H2
InChIKeyBBMZNMWUYQTVJZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.39
Rot. Bonds4

About N-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine

N-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 115871884) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID115871884
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESC#CCCCNc1cccc2c1CCCC2
InChIInChI=1S/C15H19N/c1-2-3-6-12-16-15-11-7-9-13-8-4-5-10-14(13)15/h1,7,9,11,16H,3-6,8,10,12H2
InChIKeyBBMZNMWUYQTVJZ-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025
N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43129204
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanol
CID 28573020
N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 63488096
N-propyl-2,3-dihydro-1H-inden-4-amine
CID 129164369
N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60922527
2-N-pent-4-ynylbenzene-1,2-diamine
CID 175575608
N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 106722965
N-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 61492891
3-bromo-2-chloro-N-pent-4-ynylaniline
CID 130638111
N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 62341212
N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 103000564

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine (CID 115871884) is N-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine is C#CCCCNc1cccc2c1CCCC2.
What is the InChIKey of N-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is BBMZNMWUYQTVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-2-3-6-12-16-15-11-7-9-13-8-4-5-10-14(13)15/h1,7,9,11,16H,3-6,8,10,12H2.
What are the key properties of N-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine?
N-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115871884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).