N-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine

C13H26N2 — CID 60851340

IUPACN-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CCCNC(C)(C)C
InChIInChI=1S/C13H26N2/c1-6-10-15(11-7-2)12-8-9-14-13(3,4)5/h6-7,14H,1-2,8-12H2,3-5H3
InChIKeyARQHDJCWMZULBK-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.44
Rot. Bonds8

About N-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine

N-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine (PubChem CID 60851340) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
PubChem CID60851340
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CCCNC(C)(C)C
InChIInChI=1S/C13H26N2/c1-6-10-15(11-7-2)12-8-9-14-13(3,4)5/h6-7,14H,1-2,8-12H2,3-5H3
InChIKeyARQHDJCWMZULBK-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.44
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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Related Compounds

N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine
CID 62440076
N-tert-butyl-N',N'-dipropylpropane-1,3-diamine
CID 60851501
2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol
CID 54201266
N-tert-butyl-N',N'-dibutylbutane-1,4-diamine
CID 62418469
N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine
CID 62437868
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile
CID 111565160
2-[pentyl(prop-2-enyl)amino]ethanol
CID 115623581
N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine
CID 62422518
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807
6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile
CID 106713825
N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 174680920

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine (CID 60851340) is N-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine is C=CCN(CC=C)CCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The InChIKey is ARQHDJCWMZULBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-10-15(11-7-2)12-8-9-14-13(3,4)5/h6-7,14H,1-2,8-12H2,3-5H3.
What are the key properties of N-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
N-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine is sourced from PubChem (CID 60851340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).