N-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine

C14H28N2 — CID 62438066

IUPACN-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine
SMILESC=CCN(CC=C)CCCCNCC(C)C
InChIInChI=1S/C14H28N2/c1-5-10-16(11-6-2)12-8-7-9-15-13-14(3)4/h5-6,14-15H,1-2,7-13H2,3-4H3
InChIKeyCSIGHJWGSQAULO-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.69
Rot. Bonds11

About N-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine

N-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine (PubChem CID 62438066) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine
PubChem CID62438066
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine
SMILESC=CCN(CC=C)CCCCNCC(C)C
InChIInChI=1S/C14H28N2/c1-5-10-16(11-6-2)12-8-7-9-15-13-14(3)4/h5-6,14-15H,1-2,7-13H2,3-4H3
InChIKeyCSIGHJWGSQAULO-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine?
The IUPAC name of N-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine (CID 62438066) is N-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine.
What is the SMILES notation for N-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine?
The canonical SMILES for N-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine is C=CCN(CC=C)CCCCNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine?
The InChIKey is CSIGHJWGSQAULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-10-16(11-6-2)12-8-7-9-15-13-14(3)4/h5-6,14-15H,1-2,7-13H2,3-4H3.
What are the key properties of N-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine?
N-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.69, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N',N'-bis(prop-2-enyl)butane-1,4-diamine is sourced from PubChem (CID 62438066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).