N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine

C16H28N2O — CID 60688858

IUPACN,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCCCOc1ccccc1
InChIInChI=1S/C16H28N2O/c1-16(2,14-18(3)4)13-17-11-8-12-19-15-9-6-5-7-10-15/h5-7,9-10,17H,8,11-14H2,1-4H3
InChIKeyPWBBREOQJHRMEG-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.63
Rot. Bonds9

About N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine

N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine (PubChem CID 60688858) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine
PubChem CID60688858
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCCCOc1ccccc1
InChIInChI=1S/C16H28N2O/c1-16(2,14-18(3)4)13-17-11-8-12-19-15-9-6-5-7-10-15/h5-7,9-10,17H,8,11-14H2,1-4H3
InChIKeyPWBBREOQJHRMEG-UHFFFAOYSA-N
XLogP2.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine
CID 60693914
5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine
CID 106141093
4-chloro-2,2-dimethyl-N-(3-phenoxypropyl)butan-1-amine
CID 114148906
N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 65176530
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine
CID 115574633
2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine
CID 80526261
2,3-dimethyl-1-(2-phenoxyethylamino)butan-2-ol
CID 114447528
1,1-dimethyl-2-(2-phenoxyethyl)hydrazine
CID 83013936
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine
CID 78915355
N-benzyl-3-phenoxypropan-1-amine
CID 13291924

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine (CID 60688858) is N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine is CN(C)CC(C)(C)CNCCCOc1ccccc1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine?
The InChIKey is PWBBREOQJHRMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,14-18(3)4)13-17-11-8-12-19-15-9-6-5-7-10-15/h5-7,9-10,17H,8,11-14H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine is sourced from PubChem (CID 60688858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).