N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine

C17H21N3 — CID 23519072

IUPACN-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine
SMILES[C-]#[N+]c1ccc2[nH]cc(C3CC3CCCNCC)c2c1
InChIInChI=1S/C17H21N3/c1-3-19-8-4-5-12-9-14(12)16-11-20-17-7-6-13(18-2)10-15(16)17/h6-7,10-12,14,19-20H,3-5,8-9H2,1H3
InChIKeyAZJCWKBRYUTRMX-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.21
Rot. Bonds6

About N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine

N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine (PubChem CID 23519072) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine
PubChem CID23519072
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine
SMILES[C-]#[N+]c1ccc2[nH]cc(C3CC3CCCNCC)c2c1
InChIInChI=1S/C17H21N3/c1-3-19-8-4-5-12-9-14(12)16-11-20-17-7-6-13(18-2)10-15(16)17/h6-7,10-12,14,19-20H,3-5,8-9H2,1H3
InChIKeyAZJCWKBRYUTRMX-UHFFFAOYSA-N
XLogP4.21
TPSA32.18 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine?
The IUPAC name of N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine (CID 23519072) is N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine is [C-]#[N+]c1ccc2[nH]cc(C3CC3CCCNCC)c2c1.
What is the InChIKey of N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine?
The InChIKey is AZJCWKBRYUTRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-19-8-4-5-12-9-14(12)16-11-20-17-7-6-13(18-2)10-15(16)17/h6-7,10-12,14,19-20H,3-5,8-9H2,1H3.
What are the key properties of N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine?
N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine is sourced from PubChem (CID 23519072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).