N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine

C11H27N3 — CID 103187905

IUPACN'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine
SMILESCCN(CCCCN)C(C)CN(C)C
InChIInChI=1S/C11H27N3/c1-5-14(9-7-6-8-12)11(2)10-13(3)4/h11H,5-10,12H2,1-4H3
InChIKeyIASOVMWXGMODAO-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.00
Rot. Bonds8

About N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine

N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine (PubChem CID 103187905) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine
PubChem CID103187905
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine
SMILESCCN(CCCCN)C(C)CN(C)C
InChIInChI=1S/C11H27N3/c1-5-14(9-7-6-8-12)11(2)10-13(3)4/h11H,5-10,12H2,1-4H3
InChIKeyIASOVMWXGMODAO-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.00
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

3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol
CID 103192376
2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190646
3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine
CID 103189561
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine
CID 103189525
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188353
(2R)-1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188351
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine
CID 103189553
N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine
CID 103189603
4-aminobutan-1-ol;1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine
CID 175505352
5-N,5-N-diethylhexane-1,5-diamine
CID 20587648
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine
CID 103188341
N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 159329709

Frequently Asked Questions

What is the IUPAC name of N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine?
The IUPAC name of N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine (CID 103187905) is N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine.
What is the SMILES notation for N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine?
The canonical SMILES for N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine is CCN(CCCCN)C(C)CN(C)C.
What is the InChIKey of N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine?
The InChIKey is IASOVMWXGMODAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-5-14(9-7-6-8-12)11(2)10-13(3)4/h11H,5-10,12H2,1-4H3.
What are the key properties of N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine?
N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine has a molecular weight of 201.36 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine is sourced from PubChem (CID 103187905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).