N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine

C30H50N4 — CID 57123635

IUPACN-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
SMILESc1ccc(CNCCCCCCCCCCCCCNNCCCNCc2ccccc2)cc1
InChIInChI=1S/C30H50N4/c1(2-4-6-8-16-23-31-27-29-19-12-10-13-20-29)3-5-7-9-17-25-33-34-26-18-24-32-28-30-21-14-11-15-22-30/h10-15,19-22,31-34H,1-9,16-18,23-28H2
InChIKeyFDPCQJMKFNWBFU-UHFFFAOYSA-N
MW466.76 g/mol
LogP6.34
Rot. Bonds23

About N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine

N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine (PubChem CID 57123635) has the molecular formula C30H50N4 and a molecular weight of 466.76 g/mol. Its IUPAC name is N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine.

Molecular Properties

Compound NameN-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
PubChem CID57123635
Molecular FormulaC30H50N4
Molecular Weight466.76 g/mol
Exact Mass466.40
IUPAC NameN-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
SMILESc1ccc(CNCCCCCCCCCCCCCNNCCCNCc2ccccc2)cc1
InChIInChI=1S/C30H50N4/c1(2-4-6-8-16-23-31-27-29-19-12-10-13-20-29)3-5-7-9-17-25-33-34-26-18-24-32-28-30-21-14-11-15-22-30/h10-15,19-22,31-34H,1-9,16-18,23-28H2
InChIKeyFDPCQJMKFNWBFU-UHFFFAOYSA-N
XLogP6.34
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.76
LogP ≤ 56.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N'-benzyldodecane-1,12-diamine
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N-benzyl-5-silylpentan-1-amine
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N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
N'-benzyl-N-(3-silylpropyl)tridecane-1,13-diamine
CID 164972132
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CID 175343698

Frequently Asked Questions

What is the IUPAC name of N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine?
The IUPAC name of N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine (CID 57123635) is N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine.
What is the SMILES notation for N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine?
The canonical SMILES for N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine is c1ccc(CNCCCCCCCCCCCCCNNCCCNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine?
The InChIKey is FDPCQJMKFNWBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N4/c1(2-4-6-8-16-23-31-27-29-19-12-10-13-20-29)3-5-7-9-17-25-33-34-26-18-24-32-28-30-21-14-11-15-22-30/h10-15,19-22,31-34H,1-9,16-18,23-28H2.
What are the key properties of N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine?
N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine has a molecular weight of 466.76 g/mol, XLogP of 6.34, 23 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine is sourced from PubChem (CID 57123635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).