(4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine

C18H24N2 — CID 102268620

IUPAC(4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
SMILESCCCN[C@H]1Cc2c[nH]c3cccc(c23)[C@@H]1C=C(C)C
InChIInChI=1S/C18H24N2/c1-4-8-19-17-10-13-11-20-16-7-5-6-14(18(13)16)15(17)9-12(2)3/h5-7,9,11,15,17,19-20H,4,8,10H2,1-3H3/t15-,17-/m0/s1
InChIKeyAYXJPVCLHRVBSU-RDJZCZTQSA-N
MW268.40 g/mol
LogP4.14
Rot. Bonds4

About (4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine

(4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine (PubChem CID 102268620) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine.

Molecular Properties

Compound Name(4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
PubChem CID102268620
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name(4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
SMILESCCCN[C@H]1Cc2c[nH]c3cccc(c23)[C@@H]1C=C(C)C
InChIInChI=1S/C18H24N2/c1-4-8-19-17-10-13-11-20-16-7-5-6-14(18(13)16)15(17)9-12(2)3/h5-7,9,11,15,17,19-20H,4,8,10H2,1-3H3/t15-,17-/m0/s1
InChIKeyAYXJPVCLHRVBSU-RDJZCZTQSA-N
XLogP4.14
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
The IUPAC name of (4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine (CID 102268620) is (4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine.
What is the SMILES notation for (4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
The canonical SMILES for (4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine is CCCN[C@H]1Cc2c[nH]c3cccc(c23)[C@@H]1C=C(C)C.
What is the InChIKey of (4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
The InChIKey is AYXJPVCLHRVBSU-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-8-19-17-10-13-11-20-16-7-5-6-14(18(13)16)15(17)9-12(2)3/h5-7,9,11,15,17,19-20H,4,8,10H2,1-3H3/t15-,17-/m0/s1.
What are the key properties of (4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
(4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine has a molecular weight of 268.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(2-methylprop-1-enyl)-N-propyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine is sourced from PubChem (CID 102268620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).