N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine

C11H22N2 — CID 107446123

IUPACN'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine
SMILESC#CCC(C)NCCNC(C)(C)C
InChIInChI=1S/C11H22N2/c1-6-7-10(2)12-8-9-13-11(3,4)5/h1,10,12-13H,7-9H2,2-5H3
InChIKeyZHLZDUOMCXWURZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.38
Rot. Bonds5

About N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine

N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine (PubChem CID 107446123) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine
PubChem CID107446123
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine
SMILESC#CCC(C)NCCNC(C)(C)C
InChIInChI=1S/C11H22N2/c1-6-7-10(2)12-8-9-13-11(3,4)5/h1,10,12-13H,7-9H2,2-5H3
InChIKeyZHLZDUOMCXWURZ-UHFFFAOYSA-N
XLogP1.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-1,1-dimethylethylisopropylamine
CID 79532
Bis(2-amino-2-methylpropyl)amine
CID 226845
N'-(1,1-dimethylpropyl)-N-isopropyl-ethane-1,2-diamine
CID 469914
(2-Methylbut-3-yn-2-yl)(propan-2-yl)amine
CID 63997072
1,2-Propanediamine, N1-(1,1-dimethylethyl)-2-methyl-
CID 12580989
N1,N2-Di-tert-butyl-2-methylpropane-1,2-diamine
CID 12890920
(2-Methylbut-3-yn-2-yl)(2-methylpropyl)amine
CID 63998692
1-(But-3-yn-1-yl)-3,3-dimethylpiperazine
CID 64952635
(But-3-yn-1-yl)(tert-butyl)amine hydrochloride
CID 137951152
1-N-isobutyl-2-ethynylpiperazine
CID 12249245
3-Methyl-N-(propan-2-yl)pent-1-yn-3-amine
CID 14919852
Butyl(2-methylbut-3-yn-2-yl)amine
CID 14919860

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine (CID 107446123) is N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine is C#CCC(C)NCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine?
The InChIKey is ZHLZDUOMCXWURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-7-10(2)12-8-9-13-11(3,4)5/h1,10,12-13H,7-9H2,2-5H3.
What are the key properties of N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine?
N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine is sourced from PubChem (CID 107446123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).