2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine

C17H30N2O — CID 79662075

IUPAC2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCOc1ccccc1)CC(C)(C)CN
InChIInChI=1S/C17H30N2O/c1-4-11-19(15-17(2,3)14-18)12-8-13-20-16-9-6-5-7-10-16/h5-7,9-10H,4,8,11-15,18H2,1-3H3
InChIKeyXSZUMTWZIQSZRP-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.15
Rot. Bonds10

About 2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine

2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine (PubChem CID 79662075) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine
PubChem CID79662075
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCOc1ccccc1)CC(C)(C)CN
InChIInChI=1S/C17H30N2O/c1-4-11-19(15-17(2,3)14-18)12-8-13-20-16-9-6-5-7-10-16/h5-7,9-10H,4,8,11-15,18H2,1-3H3
InChIKeyXSZUMTWZIQSZRP-UHFFFAOYSA-N
XLogP3.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.15
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

N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine
CID 79648025
N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79667626
2,2-dimethyl-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 79668381
2-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62726316
N-(2-chloroethyl)-3-phenoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 107489214
2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79661594
3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
CID 5262100
2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 79662734
2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine
CID 65256122
N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79659974
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide
CID 79665033
1-amino-2-methyl-5-phenoxypentan-2-ol
CID 64814632

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine (CID 79662075) is 2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine is CCCN(CCCOc1ccccc1)CC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine?
The InChIKey is XSZUMTWZIQSZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-11-19(15-17(2,3)14-18)12-8-13-20-16-9-6-5-7-10-16/h5-7,9-10H,4,8,11-15,18H2,1-3H3.
What are the key properties of 2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine?
2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79662075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).