2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine

C27H39N5O — CID 71176666

IUPAC2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine
SMILESCCCCCn1c(-c2ccc(NN)cc2)c(N)c2ccc(OCCCCN3CCCC3)cc21
InChIInChI=1S/C27H39N5O/c1-2-3-4-18-32-25-20-23(33-19-8-7-17-31-15-5-6-16-31)13-14-24(25)26(28)27(32)21-9-11-22(30-29)12-10-21/h9-14,20,30H,2-8,15-19,28-29H2,1H3
InChIKeyXJWNKXZOWYUNIF-UHFFFAOYSA-N
MW449.64 g/mol
LogP5.62
Rot. Bonds12

About 2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine

2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine (PubChem CID 71176666) has the molecular formula C27H39N5O and a molecular weight of 449.64 g/mol. Its IUPAC name is 2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine.

Molecular Properties

Compound Name2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine
PubChem CID71176666
Molecular FormulaC27H39N5O
Molecular Weight449.64 g/mol
Exact Mass449.32
IUPAC Name2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine
SMILESCCCCCn1c(-c2ccc(NN)cc2)c(N)c2ccc(OCCCCN3CCCC3)cc21
InChIInChI=1S/C27H39N5O/c1-2-3-4-18-32-25-20-23(33-19-8-7-17-31-15-5-6-16-31)13-14-24(25)26(28)27(32)21-9-11-22(30-29)12-10-21/h9-14,20,30H,2-8,15-19,28-29H2,1H3
InChIKeyXJWNKXZOWYUNIF-UHFFFAOYSA-N
XLogP5.62
TPSA81.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.64
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 88566470
ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58694260
1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea
CID 70666782
ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70805366
2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 70844442
1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea
CID 70844204
2-octoxy-9-octylcarbazole
CID 15163804
9-octadecyl-2-octoxycarbazole
CID 15163807
2-dodecoxy-9-dodecylcarbazole
CID 15163810
N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844699
1-hexyl-3,4-dihydroxy-7-octoxyquinolin-2-one
CID 139718059
3,4-dihydroxy-7-octoxy-1-octylquinolin-2-one
CID 139718130

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine?
The IUPAC name of 2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine (CID 71176666) is 2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine.
What is the SMILES notation for 2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine?
The canonical SMILES for 2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine is CCCCCn1c(-c2ccc(NN)cc2)c(N)c2ccc(OCCCCN3CCCC3)cc21.
What is the InChIKey of 2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine?
The InChIKey is XJWNKXZOWYUNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O/c1-2-3-4-18-32-25-20-23(33-19-8-7-17-31-15-5-6-16-31)13-14-24(25)26(28)27(32)21-9-11-22(30-29)12-10-21/h9-14,20,30H,2-8,15-19,28-29H2,1H3.
What are the key properties of 2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine?
2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine has a molecular weight of 449.64 g/mol, XLogP of 5.62, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine is sourced from PubChem (CID 71176666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).