N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine

C15H30N2 — CID 62440076

IUPACN-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine
SMILESC=CCN(CC=C)CCCCCNC(C)(C)C
InChIInChI=1S/C15H30N2/c1-6-12-17(13-7-2)14-10-8-9-11-16-15(3,4)5/h6-7,16H,1-2,8-14H2,3-5H3
InChIKeyWVUFQDGAVMGVTD-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.22
Rot. Bonds10

About N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine

N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine (PubChem CID 62440076) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine
PubChem CID62440076
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine
SMILESC=CCN(CC=C)CCCCCNC(C)(C)C
InChIInChI=1S/C15H30N2/c1-6-12-17(13-7-2)14-10-8-9-11-16-15(3,4)5/h6-7,16H,1-2,8-14H2,3-5H3
InChIKeyWVUFQDGAVMGVTD-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.22
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)propane-1,3-diamine
CID 60851340
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)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 174680920
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807
N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine
CID 62422518
N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 62425905
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine
CID 55072277
17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine
CID 153323373
2-[7-(tert-butylamino)heptylamino]propane-2-thiol
CID 138467332
N-tert-butyl-N',N'-dipropylpropane-1,3-diamine
CID 60851501

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine?
The IUPAC name of N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine (CID 62440076) is N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine.
What is the SMILES notation for N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine?
The canonical SMILES for N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine is C=CCN(CC=C)CCCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine?
The InChIKey is WVUFQDGAVMGVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-12-17(13-7-2)14-10-8-9-11-16-15(3,4)5/h6-7,16H,1-2,8-14H2,3-5H3.
What are the key properties of N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine?
N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.22, 10 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)pentane-1,5-diamine is sourced from PubChem (CID 62440076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).