4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine

C27H37N7 — CID 145371773

IUPAC4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNCc1ccc(C(CCNC2CCC(c3ccccc3)CC2)c2cc(N)nc(NN)c2N)cc1
InChIInChI=1S/C27H37N7/c28-17-18-6-8-21(9-7-18)23(24-16-25(29)33-27(34-31)26(24)30)14-15-32-22-12-10-20(11-13-22)19-4-2-1-3-5-19/h1-9,16,20,22-23,32H,10-15,17,28,30-31H2,(H3,29,33,34)
InChIKeyUFJBIYMRGWBEHA-UHFFFAOYSA-N
MW459.64 g/mol
LogP3.83
Rot. Bonds9

About 4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine

4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 145371773) has the molecular formula C27H37N7 and a molecular weight of 459.64 g/mol. Its IUPAC name is 4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine
PubChem CID145371773
Molecular FormulaC27H37N7
Molecular Weight459.64 g/mol
Exact Mass459.31
IUPAC Name4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNCc1ccc(C(CCNC2CCC(c3ccccc3)CC2)c2cc(N)nc(NN)c2N)cc1
InChIInChI=1S/C27H37N7/c28-17-18-6-8-21(9-7-18)23(24-16-25(29)33-27(34-31)26(24)30)14-15-32-22-12-10-20(11-13-22)19-4-2-1-3-5-19/h1-9,16,20,22-23,32H,10-15,17,28,30-31H2,(H3,29,33,34)
InChIKeyUFJBIYMRGWBEHA-UHFFFAOYSA-N
XLogP3.83
TPSA141.03 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.64
LogP ≤ 53.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine (CID 145371773) is 4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine is NCc1ccc(C(CCNC2CCC(c3ccccc3)CC2)c2cc(N)nc(NN)c2N)cc1.
What is the InChIKey of 4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is UFJBIYMRGWBEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7/c28-17-18-6-8-21(9-7-18)23(24-16-25(29)33-27(34-31)26(24)30)14-15-32-22-12-10-20(11-13-22)19-4-2-1-3-5-19/h1-9,16,20,22-23,32H,10-15,17,28,30-31H2,(H3,29,33,34).
What are the key properties of 4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine?
4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 459.64 g/mol, XLogP of 3.83, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(aminomethyl)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 145371773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).