7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol

C19H21NO — CID 91065022

IUPAC7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol
SMILESC[C@@H](NCC=CC#CCCO)c1cccc2ccccc12
InChIInChI=1S/C19H21NO/c1-16(20-14-7-3-2-4-8-15-21)18-13-9-11-17-10-5-6-12-19(17)18/h3,5-7,9-13,16,20-21H,8,14-15H2,1H3/t16-/m1/s1
InChIKeyTVCKLZLJJPKIQM-MRXNPFEDSA-N
MW279.38 g/mol
LogP3.43
Rot. Bonds5

About 7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol

7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol (PubChem CID 91065022) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol.

Molecular Properties

Compound Name7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol
PubChem CID91065022
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol
SMILESC[C@@H](NCC=CC#CCCO)c1cccc2ccccc12
InChIInChI=1S/C19H21NO/c1-16(20-14-7-3-2-4-8-15-21)18-13-9-11-17-10-5-6-12-19(17)18/h3,5-7,9-13,16,20-21H,8,14-15H2,1H3/t16-/m1/s1
InChIKeyTVCKLZLJJPKIQM-MRXNPFEDSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine
CID 89294620
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine
CID 25005662
N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine
CID 91425181
(E)-N'-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)hex-2-en-4-yne-1,6-diamine
CID 143626003
2-[(E)-7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-ynyl]isoindole-1,3-dione
CID 59562972
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine
CID 59562927
(E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine
CID 25006403
4-methyl-N-[(E)-8-[[(1R)-1-naphthalen-1-ylethyl]amino]oct-6-en-4-ynyl]benzenesulfonamide
CID 59562872
(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine
CID 25006024
(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol
CID 70834153
6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine
CID 91196178
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573

Frequently Asked Questions

What is the IUPAC name of 7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol?
The IUPAC name of 7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol (CID 91065022) is 7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol.
What is the SMILES notation for 7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol?
The canonical SMILES for 7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol is C[C@@H](NCC=CC#CCCO)c1cccc2ccccc12.
What is the InChIKey of 7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol?
The InChIKey is TVCKLZLJJPKIQM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21NO/c1-16(20-14-7-3-2-4-8-15-21)18-13-9-11-17-10-5-6-12-19(17)18/h3,5-7,9-13,16,20-21H,8,14-15H2,1H3/t16-/m1/s1.
What are the key properties of 7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol?
7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol has a molecular weight of 279.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol is sourced from PubChem (CID 91065022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).