1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine

C14H28N2 — CID 83054902

IUPAC1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine
SMILESC#CCN(CC)C(CCC)CNC(C)(C)C
InChIInChI=1S/C14H28N2/c1-7-10-13(12-15-14(4,5)6)16(9-3)11-8-2/h2,13,15H,7,9-12H2,1,3-6H3
InChIKeyRAWQDSUVDWNWOC-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds7

About 1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine

1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine (PubChem CID 83054902) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine
PubChem CID83054902
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine
SMILESC#CCN(CC)C(CCC)CNC(C)(C)C
InChIInChI=1S/C14H28N2/c1-7-10-13(12-15-14(4,5)6)16(9-3)11-8-2/h2,13,15H,7,9-12H2,1,3-6H3
InChIKeyRAWQDSUVDWNWOC-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
CID 83043527
1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine
CID 83042225
1-N-tert-butyl-2-N-ethyl-2-N-(2-methylpropyl)butane-1,2-diamine
CID 62422722
1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62428200
1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine
CID 83054722
1-N-tert-butyl-2-N-butyl-2-N-methylpentane-1,2-diamine
CID 83042715
1-N,2-N,2-N-triethylpentane-1,2-diamine
CID 83043312
2-N-propyl-2-N-prop-2-ynylpentane-1,2-diamine
CID 83044234
1-N-tert-butyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
CID 83054412
1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine
CID 103226050
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine
CID 83054704

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine (CID 83054902) is 1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine is C#CCN(CC)C(CCC)CNC(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine?
The InChIKey is RAWQDSUVDWNWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-7-10-13(12-15-14(4,5)6)16(9-3)11-8-2/h2,13,15H,7,9-12H2,1,3-6H3.
What are the key properties of 1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine?
1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine is sourced from PubChem (CID 83054902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).