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

C19H25N3 — CID 23519079

IUPACN,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine
SMILES[C-]#[N+]c1ccc2[nH]cc(C3CC3CCCN(CC)CC)c2c1
InChIInChI=1S/C19H25N3/c1-4-22(5-2)10-6-7-14-11-16(14)18-13-21-19-9-8-15(20-3)12-17(18)19/h8-9,12-14,16,21H,4-7,10-11H2,1-2H3
InChIKeyBHULNQHAEADZJF-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.94
Rot. Bonds7

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

N,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine (PubChem CID 23519079) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine
PubChem CID23519079
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine
SMILES[C-]#[N+]c1ccc2[nH]cc(C3CC3CCCN(CC)CC)c2c1
InChIInChI=1S/C19H25N3/c1-4-22(5-2)10-6-7-14-11-16(14)18-13-21-19-9-8-15(20-3)12-17(18)19/h8-9,12-14,16,21H,4-7,10-11H2,1-2H3
InChIKeyBHULNQHAEADZJF-UHFFFAOYSA-N
XLogP4.94
TPSA23.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine (CID 23519079) is N,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine is [C-]#[N+]c1ccc2[nH]cc(C3CC3CCCN(CC)CC)c2c1.
What is the InChIKey of N,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine?
The InChIKey is BHULNQHAEADZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-4-22(5-2)10-6-7-14-11-16(14)18-13-21-19-9-8-15(20-3)12-17(18)19/h8-9,12-14,16,21H,4-7,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine?
N,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine is sourced from PubChem (CID 23519079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).