1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine

C11H26N2 — CID 154626296

IUPAC1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine
SMILESCCNC(NC(C)(C)C)C(C)CC
InChIInChI=1S/C11H26N2/c1-7-9(3)10(12-8-2)13-11(4,5)6/h9-10,12-13H,7-8H2,1-6H3
InChIKeyMQUKDPKGYNDELM-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.36
Rot. Bonds5

About 1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine

1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine (PubChem CID 154626296) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine.

Molecular Properties

Compound Name1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine
PubChem CID154626296
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine
SMILESCCNC(NC(C)(C)C)C(C)CC
InChIInChI=1S/C11H26N2/c1-7-9(3)10(12-8-2)13-11(4,5)6/h9-10,12-13H,7-8H2,1-6H3
InChIKeyMQUKDPKGYNDELM-UHFFFAOYSA-N
XLogP2.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-tert-butyl-4-methylhexan-3-amine
CID 89089273
1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane
CID 170980277
2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine
CID 79445200
N-ethyl-3,5-dimethylheptan-4-amine
CID 79446924
N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine
CID 105017343
1-N,1-N'-ditert-butylpropane-1,1-diamine
CID 134169059
3-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82724015
N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine
CID 115854389
2-N-ethyl-3-methylpentane-1,2-diamine
CID 62066397
N-ethyl-2,5-dimethylheptan-4-amine
CID 63717421
(3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine
CID 163855616
N-ethyl-3,6-dimethyloctan-4-amine
CID 63717606

Frequently Asked Questions

What is the IUPAC name of 1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine?
The IUPAC name of 1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine (CID 154626296) is 1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine.
What is the SMILES notation for 1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine?
The canonical SMILES for 1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine is CCNC(NC(C)(C)C)C(C)CC.
What is the InChIKey of 1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine?
The InChIKey is MQUKDPKGYNDELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-7-9(3)10(12-8-2)13-11(4,5)6/h9-10,12-13H,7-8H2,1-6H3.
What are the key properties of 1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine?
1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine is sourced from PubChem (CID 154626296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).