N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine

C15H26N2O — CID 115574633

IUPACN'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine
SMILESCC(C)(C)NCCCNCCOc1ccccc1
InChIInChI=1S/C15H26N2O/c1-15(2,3)17-11-7-10-16-12-13-18-14-8-5-4-6-9-14/h4-6,8-9,16-17H,7,10-13H2,1-3H3
InChIKeyZZBAFURWJKQTCB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.43
Rot. Bonds8

About N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine

N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine (PubChem CID 115574633) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine
PubChem CID115574633
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine
SMILESCC(C)(C)NCCCNCCOc1ccccc1
InChIInChI=1S/C15H26N2O/c1-15(2,3)17-11-7-10-16-12-13-18-14-8-5-4-6-9-14/h4-6,8-9,16-17H,7,10-13H2,1-3H3
InChIKeyZZBAFURWJKQTCB-UHFFFAOYSA-N
XLogP2.43
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
4-bromo-N-(2-phenoxyethyl)butan-1-amine
CID 106844867
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
N'-tert-butyl-N-[2-(4-chlorophenoxy)ethyl]ethane-1,2-diamine
CID 113405421
N-(2-methoxyethyl)-6-phenoxyhexan-1-amine
CID 64503530
2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine
CID 60693914
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
N-ethyl-5-phenoxypentan-1-amine
CID 54394184
3-(2-methoxyethoxy)-N-(3-phenoxypropyl)propan-1-amine
CID 103605643
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine (CID 115574633) is N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine is CC(C)(C)NCCCNCCOc1ccccc1.
What is the InChIKey of N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine?
The InChIKey is ZZBAFURWJKQTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,3)17-11-7-10-16-12-13-18-14-8-5-4-6-9-14/h4-6,8-9,16-17H,7,10-13H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine?
N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 115574633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).