(E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine

C20H24N2 — CID 89294620

IUPAC(E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine
SMILESC[C@@H](NC/C=C/C#CCCCN)c1cccc2ccccc12
InChIInChI=1S/C20H24N2/c1-17(22-16-9-5-3-2-4-8-15-21)19-14-10-12-18-11-6-7-13-20(18)19/h5-7,9-14,17,22H,4,8,15-16,21H2,1H3/b9-5+/t17-/m1/s1
InChIKeyRPTCNDWUHQUOPF-HFTQHKIXSA-N
MW292.43 g/mol
LogP3.79
Rot. Bonds6

About (E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine

(E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine (PubChem CID 89294620) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine.

Molecular Properties

Compound Name(E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine
PubChem CID89294620
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name(E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine
SMILESC[C@@H](NC/C=C/C#CCCCN)c1cccc2ccccc12
InChIInChI=1S/C20H24N2/c1-17(22-16-9-5-3-2-4-8-15-21)19-14-10-12-18-11-6-7-13-20(18)19/h5-7,9-14,17,22H,4,8,15-16,21H2,1H3/b9-5+/t17-/m1/s1
InChIKeyRPTCNDWUHQUOPF-HFTQHKIXSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol
CID 91065022
(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
4-methyl-N-[(E)-8-[[(1R)-1-naphthalen-1-ylethyl]amino]oct-6-en-4-ynyl]benzenesulfonamide
CID 59562872
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-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine
CID 25006024
(E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine
CID 25006403
6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine
CID 91196178
(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol
CID 70834153
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine?
The IUPAC name of (E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine (CID 89294620) is (E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine.
What is the SMILES notation for (E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine?
The canonical SMILES for (E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine is C[C@@H](NC/C=C/C#CCCCN)c1cccc2ccccc12.
What is the InChIKey of (E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine?
The InChIKey is RPTCNDWUHQUOPF-HFTQHKIXSA-N. The full InChI is InChI=1S/C20H24N2/c1-17(22-16-9-5-3-2-4-8-15-21)19-14-10-12-18-11-6-7-13-20(18)19/h5-7,9-14,17,22H,4,8,15-16,21H2,1H3/b9-5+/t17-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine?
(E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine is sourced from PubChem (CID 89294620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).