N,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine

C19H38N2 — CID 89204480

IUPACN,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine
SMILESC=CC(=C)CN(CCCC)CCCC(C)CNCCCC
InChIInChI=1S/C19H38N2/c1-6-9-13-20-16-19(5)12-11-15-21(14-10-7-2)17-18(4)8-3/h8,19-20H,3-4,6-7,9-17H2,1-2,5H3
InChIKeyQPLZOYQKMRPFKB-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.64
Rot. Bonds15

About N,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine

N,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine (PubChem CID 89204480) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine
PubChem CID89204480
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine
SMILESC=CC(=C)CN(CCCC)CCCC(C)CNCCCC
InChIInChI=1S/C19H38N2/c1-6-9-13-20-16-19(5)12-11-15-21(14-10-7-2)17-18(4)8-3/h8,19-20H,3-4,6-7,9-17H2,1-2,5H3
InChIKeyQPLZOYQKMRPFKB-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine?
The IUPAC name of N,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine (CID 89204480) is N,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine.
What is the SMILES notation for N,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine?
The canonical SMILES for N,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine is C=CC(=C)CN(CCCC)CCCC(C)CNCCCC.
What is the InChIKey of N,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine?
The InChIKey is QPLZOYQKMRPFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-6-9-13-20-16-19(5)12-11-15-21(14-10-7-2)17-18(4)8-3/h8,19-20H,3-4,6-7,9-17H2,1-2,5H3.
What are the key properties of N,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine?
N,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine has a molecular weight of 294.53 g/mol, XLogP of 4.64, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine is sourced from PubChem (CID 89204480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).