1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine

C11H26N2 — CID 62423009

IUPAC1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
SMILESCCNCCCC(C)N(C)C(C)C
InChIInChI=1S/C11H26N2/c1-6-12-9-7-8-11(4)13(5)10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyMKHABJFPWPVSAV-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.10
Rot. Bonds7

About 1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine

1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine (PubChem CID 62423009) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
PubChem CID62423009
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
SMILESCCNCCCC(C)N(C)C(C)C
InChIInChI=1S/C11H26N2/c1-6-12-9-7-8-11(4)13(5)10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyMKHABJFPWPVSAV-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.10
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

1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62423187
1-N-ethyl-3-N-methyl-3-N-pentan-3-ylbutane-1,3-diamine
CID 62434112
4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62419355
4-N-[1-(3-chlorophenyl)ethyl]-1-N-ethyl-4-N-methylpentane-1,4-diamine
CID 62984747
1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine
CID 62435358
1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine
CID 62411796
1-N-ethyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pentane-1,4-diamine
CID 62428140
(2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine
CID 148926186
N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine
CID 62463209
1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
CID 62436193
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen
CID 142254763

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine (CID 62423009) is 1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine is CCNCCCC(C)N(C)C(C)C.
What is the InChIKey of 1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine?
The InChIKey is MKHABJFPWPVSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-12-9-7-8-11(4)13(5)10(2)3/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine?
1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine is sourced from PubChem (CID 62423009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).