N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine

C16H28N2 — CID 113405378

IUPACN'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNCCCCc1ccccc1
InChIInChI=1S/C16H28N2/c1-16(2,3)18-14-13-17-12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,17-18H,7-8,11-14H2,1-3H3
InChIKeyFFBFSJMEKIKTHF-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.99
Rot. Bonds8

About N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine

N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine (PubChem CID 113405378) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine
PubChem CID113405378
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNCCCCc1ccccc1
InChIInChI=1S/C16H28N2/c1-16(2,3)18-14-13-17-12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,17-18H,7-8,11-14H2,1-3H3
InChIKeyFFBFSJMEKIKTHF-UHFFFAOYSA-N
XLogP2.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
N'-tert-butyl-N-[3-(3-methylphenyl)propyl]ethane-1,2-diamine
CID 113405357
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
5-phenyl-N-propylpentan-1-amine
CID 62530615
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
CID 58814792
N-(4-chlorobutyl)-4-phenylbutan-1-amine
CID 106844243
2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine
CID 114333508
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
1,3-dichloro-2-methyl-N-(4-phenylbutyl)propan-2-amine
CID 114334733

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine (CID 113405378) is N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine is CC(C)(C)NCCNCCCCc1ccccc1.
What is the InChIKey of N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine?
The InChIKey is FFBFSJMEKIKTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-16(2,3)18-14-13-17-12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,17-18H,7-8,11-14H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine?
N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 113405378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).