N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine

C12H24N2 — CID 106226213

IUPACN'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine
SMILESC#CC(CCC)NCCNC(C)(C)C
InChIInChI=1S/C12H24N2/c1-6-8-11(7-2)13-9-10-14-12(3,4)5/h2,11,13-14H,6,8-10H2,1,3-5H3
InChIKeyGDOVNMZKBAPWJH-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.77
Rot. Bonds6

About N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine

N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine (PubChem CID 106226213) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine
PubChem CID106226213
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine
SMILESC#CC(CCC)NCCNC(C)(C)C
InChIInChI=1S/C12H24N2/c1-6-8-11(7-2)13-9-10-14-12(3,4)5/h2,11,13-14H,6,8-10H2,1,3-5H3
InChIKeyGDOVNMZKBAPWJH-UHFFFAOYSA-N
XLogP1.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.77
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

N-hex-1-yn-3-yldecan-1-amine
CID 106226428
N-hex-1-yn-3-yloctan-1-amine
CID 106225987
N-(2-tert-butylsulfonylethyl)hex-1-yn-3-amine
CID 106230146
N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine
CID 107446123
N-(2-methylpropyl)hex-1-yn-3-amine
CID 107234224
N-[2-(3-methylbutoxy)ethyl]hex-1-yn-3-amine
CID 106229882
3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide
CID 106230179
N-prop-2-enylhex-1-yn-3-amine
CID 106229885
N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine
CID 79257480
N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine
CID 106230031
N-(3-phenoxypropyl)hex-1-yn-3-amine
CID 106230103
N-butylpent-1-yn-3-amine
CID 57076598

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine (CID 106226213) is N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine is C#CC(CCC)NCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine?
The InChIKey is GDOVNMZKBAPWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-8-11(7-2)13-9-10-14-12(3,4)5/h2,11,13-14H,6,8-10H2,1,3-5H3.
What are the key properties of N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine?
N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine is sourced from PubChem (CID 106226213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).