3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine

C16H36N2 — CID 63492427

IUPAC3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
SMILESCCC(CC)CN(CC)C(C)CCNCC(C)C
InChIInChI=1S/C16H36N2/c1-7-16(8-2)13-18(9-3)15(6)10-11-17-12-14(4)5/h14-17H,7-13H2,1-6H3
InChIKeyGHDNARRHCPAQBJ-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.77
Rot. Bonds11

About 3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine

3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine (PubChem CID 63492427) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
PubChem CID63492427
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
SMILESCCC(CC)CN(CC)C(C)CCNCC(C)C
InChIInChI=1S/C16H36N2/c1-7-16(8-2)13-18(9-3)15(6)10-11-17-12-14(4)5/h14-17H,7-13H2,1-6H3
InChIKeyGHDNARRHCPAQBJ-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.77
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

2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine
CID 55197020
1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine
CID 62435358
3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 62437184
3-N,3-N-dibutyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 55195808
2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226048
2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080353
2-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 62515552
N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63491213
1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 83054107
1-N-(2-methylpropyl)-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 55073773
3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 130158972
4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine
CID 64705964

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine (CID 63492427) is 3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine is CCC(CC)CN(CC)C(C)CCNCC(C)C.
What is the InChIKey of 3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine?
The InChIKey is GHDNARRHCPAQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-7-16(8-2)13-18(9-3)15(6)10-11-17-12-14(4)5/h14-17H,7-13H2,1-6H3.
What are the key properties of 3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine?
3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.77, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine is sourced from PubChem (CID 63492427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).