N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine

C14H32N2 — CID 62420127

IUPACN'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine
SMILESCCC(C)N(CC)CCCCNC(C)(C)C
InChIInChI=1S/C14H32N2/c1-7-13(3)16(8-2)12-10-9-11-15-14(4,5)6/h13,15H,7-12H2,1-6H3
InChIKeyGMFMJTVYMXTBNT-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.28
Rot. Bonds8

About N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine

N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine (PubChem CID 62420127) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine
PubChem CID62420127
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine
SMILESCCC(C)N(CC)CCCCNC(C)(C)C
InChIInChI=1S/C14H32N2/c1-7-13(3)16(8-2)12-10-9-11-15-14(4,5)6/h13,15H,7-12H2,1-6H3
InChIKeyGMFMJTVYMXTBNT-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine?
The IUPAC name of N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine (CID 62420127) is N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine.
What is the SMILES notation for N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine?
The canonical SMILES for N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine is CCC(C)N(CC)CCCCNC(C)(C)C.
What is the InChIKey of N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine?
The InChIKey is GMFMJTVYMXTBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-13(3)16(8-2)12-10-9-11-15-14(4,5)6/h13,15H,7-12H2,1-6H3.
What are the key properties of N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine?
N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine is sourced from PubChem (CID 62420127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).