N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine

C13H30N2 — CID 62422518

IUPACN-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine
SMILESCCCN(CC)CCCCNC(C)(C)C
InChIInChI=1S/C13H30N2/c1-6-11-15(7-2)12-9-8-10-14-13(3,4)5/h14H,6-12H2,1-5H3
InChIKeyIULXVJCTIQOMDC-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.89
Rot. Bonds8

About N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine

N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine (PubChem CID 62422518) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine
PubChem CID62422518
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine
SMILESCCCN(CC)CCCCNC(C)(C)C
InChIInChI=1S/C13H30N2/c1-6-11-15(7-2)12-9-8-10-14-13(3,4)5/h14H,6-12H2,1-5H3
InChIKeyIULXVJCTIQOMDC-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.89
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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Related Compounds

N-tert-butyl-N',N'-dipropylpropane-1,3-diamine
CID 60851501
N-tert-butyl-N',N'-dibutylbutane-1,4-diamine
CID 62418469
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine
CID 55072277
N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 62425905
N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 55074482
N-ethyl-N-propyldecan-1-amine
CID 56933807
N-tert-butylnonadecan-1-amine
CID 87846739
N-tert-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 62430607
N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
CID 142350039
N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine
CID 62440076
N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 62420127
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine?
The IUPAC name of N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine (CID 62422518) is N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine.
What is the SMILES notation for N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine?
The canonical SMILES for N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine is CCCN(CC)CCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine?
The InChIKey is IULXVJCTIQOMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-11-15(7-2)12-9-8-10-14-13(3,4)5/h14H,6-12H2,1-5H3.
What are the key properties of N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine?
N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.89, 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'-ethyl-N'-propylbutane-1,4-diamine is sourced from PubChem (CID 62422518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).