N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine

C14H33N3 — CID 62436876

IUPACN'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCNCC(C)C)CCN(C)C
InChIInChI=1S/C14H33N3/c1-6-9-17(12-11-16(4)5)10-7-8-15-13-14(2)3/h14-15H,6-13H2,1-5H3
InChIKeySLOKDAFTUYHWBF-UHFFFAOYSA-N
MW243.44 g/mol
LogP1.90
Rot. Bonds11

About N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine

N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine (PubChem CID 62436876) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
PubChem CID62436876
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC NameN'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCNCC(C)C)CCN(C)C
InChIInChI=1S/C14H33N3/c1-6-9-17(12-11-16(4)5)10-7-8-15-13-14(2)3/h14-15H,6-13H2,1-5H3
InChIKeySLOKDAFTUYHWBF-UHFFFAOYSA-N
XLogP1.90
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 51.90
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'-ethyl-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62421595
N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 62426095
N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine
CID 62421601
N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine
CID 62436376
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
N-ethyl-N',N'-dipropylpropane-1,3-diamine
CID 19755940
N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 101082542
5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol
CID 62228988
N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 62421290
N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine
CID 55089009
N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426982
N,N-dimethyl-N',N'-dipropylpropane-1,3-diamine
CID 89150859

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine (CID 62436876) is N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine is CCCN(CCCNCC(C)C)CCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine?
The InChIKey is SLOKDAFTUYHWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-6-9-17(12-11-16(4)5)10-7-8-15-13-14(2)3/h14-15H,6-13H2,1-5H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine?
N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine has a molecular weight of 243.44 g/mol, XLogP of 1.90, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62436876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).