N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine

C12H28N2 — CID 60853451

IUPACN'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
SMILESCCCCN(CC)CCCNC(C)C
InChIInChI=1S/C12H28N2/c1-5-7-10-14(6-2)11-8-9-13-12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyXPUCJCKPDPUJSU-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.50
Rot. Bonds9

About N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine

N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine (PubChem CID 60853451) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
PubChem CID60853451
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
SMILESCCCCN(CC)CCCNC(C)C
InChIInChI=1S/C12H28N2/c1-5-7-10-14(6-2)11-8-9-13-12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyXPUCJCKPDPUJSU-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 63528013
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 156884797
N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine
CID 105346595
N-propan-2-ylbutan-1-amine chloride
CID 19629099
N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849268
N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
CID 61386892
N-propan-2-ylicosan-1-amine
CID 87246132
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine (CID 60853451) is N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine is CCCCN(CC)CCCNC(C)C.
What is the InChIKey of N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine?
The InChIKey is XPUCJCKPDPUJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-7-10-14(6-2)11-8-9-13-12(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine?
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 60853451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).